2-Iodo-6-methylpyridin-3-ol

HCID 89957CAS 23003-30-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(O)c(I)n1
InChIKey: HRZOWBGCOJWHDY-UHFFFAOYSA-N
Molecular formula: C6H6INO
Average molar mass: 235.02 g/mol
Monoisotopic mass: 234.94941181

Names & identifiers

Preferred name: 2-Iodo-6-methylpyridin-3-ol
IUPAC: 2-iodo-6-methylpyridin-3-ol
English name: 3-Hydroxy-2-iodo-6-methylpyridine
Molecular formula: C6H6INO
Molecular weight: 235.02

Names & synonyms

23003-30-72-Iodo-6-methylpyridin-3-ol2-Iodo-6-methyl-3-pyridinolEINECS 245-376-9HRZOWBGCOJWHDY-UHFFFAOYSA-DTXSID20177561RefChem:473720DTXCID80100052245-376-9InChI=1/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H33-Hydroxy-2-iodo-6-methylpyridine3-Pyridinol, 2-iodo-6-methyl-

Show more names

3-Hydroxy-2-iodo-6-6-Iodo-2-picolin-5-ol,97%6-IODO-2-PICOLIN-5-OL 97%2-IODO-3-HYDROXY-6-PICOLINE2-IODO-6-METHYL-3-HYDROXYPYRIDINE

2-Iodo-6-methyl-pyridin-3-olMFCD000062466-Iodo-2-picolin-5-ol2-Iodo-6-picolin-3-ol6-iodo-2-picoline-5-ol2-Iodo-6-methyl-3-pyridinol #2-iodo-3-hydroxy-6-methylpyridine3-Hydroxy-2-iodo-6-picoline

Database identifiers

CAS: 23003-30-7
PubChem CID: 89957
DTXSID: DTXSID20177561
EC Number: 245-376-9
Nikkaji: J236.698C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 197 · 197-199 °C (lit.)
Boiling point: 292 · 292.0±35.0 °C(Predicted)
Density: 1.8615 · 1.8615 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 5.46 · 5.46±0.10(Predicted)
Appearance: White to light brown Solid
InChI: InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey: HRZOWBGCOJWHDY-UHFFFAOYSA-N
SMILES: C1(I)=NC(C)=CC=C1O
CAS DataBase Reference: 23003 · 23003-30-7(CAS DataBase Reference)
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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.