CAS 2459-07-6 2-Carbomethoxypyridine (HCID 75569)

Overview

Methyl picolinate is a member of pyridines and an aromatic carboxylic acid.

Names & identifiers

Preferred name: 2-Carbomethoxypyridine
IUPAC: methyl pyridine-2-carboxylate
English name: Methyl picolinate
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

Methyl picolinate2459-07-6Methyl pyridine-2-carboxylate2-Pyridinecarboxylic acid, methyl ester2-Picolinic acid methyl esterMethyl 2-pyridinecarboxylatePicolinic acid, methyl ester2-CarbomethoxypyridineII4AAE7Y3A2-(Methoxycarbonyl)pyridineNSC-1459DTXSID4062432

Show more names

Methyl-2-PicolinateMethyl picoliteTIMTEC-BB SBB008127RARECHEM AL BF 0182Pyridine-2-carboxyLpicolin methyl esterPICOLINIC ACID METHYL ESTER

NSC 1459EINECS 219-545-2RefChem:468174DTXCID0037102Picolinic acid, methyl ester (8CI)Methyl pyridine-2-carboxylate; 2-CarbomethoxypyridinePyridine-2-carboxylic acid methyl estermethylpicolinate

Database identifiers

CAS: 2459-07-6
PubChem CID: 75569
DTXSID: DTXSID4062432
ChEMBL: CHEMBL309354
ChEBI: CHEBI:167765
UNII: II4AAE7Y3A
EC Number: 219-545-2
Nikkaji: J27.977C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

LogP0.4

Physicochemical properties

Melting point: 19 ℃ · 19℃
Boiling point: 95 °C1 · 95 °C1 mm Hg(lit.)
Density: 1.137 g/mL · 1.137 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.521(lit.)
Flash point: 217 °F · 217 °F
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
pka: 1 · pK1:2.21(+1) (25°C)
color: White
Water Solubility: Slightly soluble in water.
InChI: 1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
InChIKey: NMMIHXMBOZYNET-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccn1
CAS DataBase Reference: 2459 · 2459-07-6(CAS DataBase Reference)
FDA UNII: 4 AAE7Y3A · II4AAE7Y3A
NIST Chemistry Reference: 2 · 2-Pyridinecarboxylic acid, methyl ester(2459-07-6)
EPA Substance Registry System: 2 · 2-Pyridinecarboxylic acid, methyl ester (2459-07-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Pyridinecarboxylic acid, methyl ester

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyridinecarboxylic acid, methyl ester: INACTIVE

Applications

UsesMethyl picolinate is used as pharmaceutical intermediate.

General DescriptionMethyl picolinate (MP) exists in two conformers i.e s-trans and s-cis. Molecular structure of these forms has been investigated by gas electron diffraction.

Upstream & downstream products

Upstream raw materials

2-Pyridinecarboxamide,N,N-dimethyl-(9CI)Methyl picolinimidate 2-(Trimethylsilyl)pyridine 2-Iodopyridine 2-Pyridinecarboxylicacid,methylester,1-oxide(9CI)2-Picolinic acid Methanol

Downstream products

6-Hydroxypicolinic acid 1,3-Di(2-pyridyl)-1,3-propanedione Ethyl picolinate 3,5-Di(2-pyridyl)pyrazole 2-Pyridinecarboxylicacid,5-methyl-,methylester(9CI)LY-364947 Pyridine-2-carboxamide 3-(Pyridin-2-yl)dihydrofuran-2(3H)-one

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Additional notes

DefinitionChEBI: Methyl picolinate is a member of pyridines and an aromatic carboxylic acid.

Related reactions

14 records

New reaction record

HRID 53823As reactantuspto-grants-1997_04

HRID 230790As reactantuspto-grants-2009_07

HRID 426675As productuspto-grants-1979_10

HRID 437650As reactantuspto-grants-1977_06

HRID 563990As reactantuspto-grants-2011_11

HRID 976027As reactantuspto-grants-1997_03

HRID 1126576As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1156513As reactantuspto-grants-1982_06

Compound notes

Loading…

Basic information