Imidazo(1,2-a)pyridine-3-carboxylic acid

HCID 73142CAS 6200-60-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cnc2ccccn12
InChIKey: DOGXPDFZEQXZDS-UHFFFAOYSA-N
Molecular formula: C8H6N2O2
Average molar mass: 162.15 g/mol
Monoisotopic mass: 162.04292744

Names & identifiers

Preferred name: Imidazo(1,2-a)pyridine-3-carboxylic acid
IUPAC: imidazo[1,2-a]pyridine-3-carboxylic acid
English name: IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID
Molecular formula: C8H6N2O2
Molecular weight: 162.15

Names & synonyms

Imidazo[1,2-a]pyridine-3-carboxylic acid6200-60-8Imidazo(1,2-a)pyridine-3-carboxylic acidNSC 305198BRN 0608485DTXSID00211053RefChem:147964DTXCID00133544800-776-8MFCD01720458WLN: T56 AN DNJ BVQNSC305198

Show more names

EOS-613183-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-3-carboxylicacid97%H-imidazo[1,2-a]pyridine-3-carboxylic acidImidazo[1,2-a]pyridine-3-carboxylic acid 97%imidazo[1,2-a]pyridine-3-carboxylic acid - [K24583]

NSC-305198Imidazo[1,2-a]pyridine-3-carboxylicacidNSC-305199SG4R7HE86JSCHEMBL496758DOGXPDFZEQXZDS-UHFFFAOYSA-NSBB087589AKOS006343000

Database identifiers

CAS: 6200-60-8
PubChem CID: 73142
DTXSID: DTXSID00211053
UNII: SG4R7HE86J
EC Number: 800-776-8
Nikkaji: J40.952I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 196 °C · 196 °C
Density: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: -0.61 · -0.61±0.41(Predicted)
color: Pale yellow
InChI: InChI=1S/C8H6N2O2/c11-8(12)6-5-9-7-3-1-2-4-10(6)7/h1-5H,(H,11,12)
InChIKey: DOGXPDFZEQXZDS-UHFFFAOYSA-N
SMILES: C12=NC=C(C(O)=O)N1C=CC=C2
CAS DataBase Reference: 6200 · 6200-60-8
FDA UNII: 4 R7HE86J · SG4R7HE86J
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.