1-Methyl-1H-imidazo(4,5-c)pyridine-2-carboxaldehyde

HCID 12239331

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Basic information

CAS: 38786-61-7
Standard SMILES: Cn1c(C=O)nc2cnccc21
InChIKey: WQQQKOUIYMCYMQ-UHFFFAOYSA-N
Molecular formula: C8H7N3O
Average molar mass: 161.16 g/mol

Names & identifiers

Preferred name: 1-Methyl-1H-imidazo(4,5-c)pyridine-2-carboxaldehyde
IUPAC: 1-methylimidazo[4,5-c]pyridine-2-carbaldehyde
English name: 1-Methyl-1H-imidazo[4,5-c]pyridine-2-carbaldehyde
Molecular formula: C8H7N3O
Molecular weight: 161.163

Names & synonyms

38786-61-71-methyl-1H-imidazo[4,5-c]pyridine-2-carboxaldehyde1-Methyl-1H-imidazo(4,5-c)pyridine-2-carboxaldehydeRefChem:433819111-331-61-methyl-1H-imidazo[4,5-c]pyridine-2-carbaldehydeSCHEMBL1717624WQQQKOUIYMCYMQ-UHFFFAOYSA-NAKOS014315825DB-391106

Database identifiers

CAS: 38786-61-7
PubChem CID: 12239331
EC Number: 111-331-6

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 47.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

form: solid
InChI: 1S/C8H7N3O/c1-11-7-2-3-9-4-6(7)10-8(11)5-12/h2-5H,1H3
InChIKey: WQQQKOUIYMCYMQ-UHFFFAOYSA-N
SMILES: O=CC1=NC2=CN=CC=C2N1C
UNSPSC Code: 12352005 · 12352005
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H319-H400
Precautionary statements: 261 · P261-P273-P280-P333+P313-P391
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.