2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester

HCID 465065

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Basic information

CAS: 41110-33-2
Standard SMILES: COC(=O)c1cnc(C)cn1
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
Molecular formula: C7H8N2O2
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.0585775

Names & identifiers

Preferred name: 2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
IUPAC: methyl 5-methylpyrazine-2-carboxylate
English name: METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE
Molecular formula: C7H8N2O2
Molecular weight: 152.15

Names & synonyms

41110-33-22-pyrazinecarboxylic acid, 5-methyl-, methyl esterRefChem:483326620-310-5methyl 5-methylpyrazine-2-carboxylateMFCD041169102-Pyrazinecarboxylicacid, 5-methyl-, methyl ester5-methylpyrazine-2-carboxylic acid methyl esterPyrazinecarboxylic acid, 5-methyl-, methyl esterMethyl 5-mehtylpyrazine-2-carboxylateMETHYL5-METHYLPYRAZINE-2-CARBOXYLATE5-Methyl-pyrazine-2-carboxylic acid methyl ester

Show more names

Glipizide Impurity 455-Methylpyrazinecarboxylic5-Methylpyrazine-2-carboxylate3,5-dimethyl-2-pyrazinecarboxylate2-Methyl-5-(methoxycarbonyl)pyrazineMethyl 5-methyl-2-pyrazinecarboxylateMETHYL-2-METHYL-PYRAZINE-5-CARBOXYLATE5-Methylpyrazinecarboxylic acid methyl ester2-Methyl-5-pyrazinecarboxylic acid methyl ester

Acipimox impurity 20methyl 5-methylpyrazine-CHEMBL115764SCHEMBL1858691DTXSID90332766CRBOSZMVDHYLJE-UHFFFAOYSA-N2-methoxycarbonyl-5-methylpyrazineALBB-027674

Database identifiers

CAS: 41110-33-2
PubChem CID: 465065
DTXSID: DTXSID90332766
ChEMBL: CHEMBL115764
EC Number: 620-310-5
Nikkaji: J419.537J

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

LogP0.17

Physicochemical properties

Melting point: 92 °C · 92 °C
Boiling point: 234.1 · 234.1±35.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Dichloromethane, Methanol
form: Solid
pka: -0.23 · -0.23±0.10(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(C)N=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2933998090 · 2933998090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesMethyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).