1H-Pyrrolo(2,3-c)pyridine-2-carboxylic acid

HCID 21819002

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Basic information

CAS: 24334-20-1
Standard SMILES: O=C(O)c1cc2ccncc2[nH]1
InChIKey: PWWYFIZEQHFRJH-UHFFFAOYSA-N
Molecular formula: C8H6N2O2
Average molar mass: 162.15 g/mol
Monoisotopic mass: 162.04292743

Names & identifiers

Preferred name: 1H-Pyrrolo(2,3-c)pyridine-2-carboxylic acid
IUPAC: 1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
English name: 1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Molecular formula: C8H6N2O2
Molecular weight: 162.15

Names & synonyms

1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid24334-20-1DTXSID806184251H-Pyrrolo(2,3-c)pyridine-2-carboxylic acidRefChem:79962DTXCID70569179825-964-7PWWYFIZEQHFRJH-UHFFFAOYSA-NMFCD115061216-Azaindole-2-carboxylic acid1H-pyrrolo[2,3-c]pyridine-2-carboxylicacidSCHEMBL1895337

Show more names

6-azindole-2-carboxylic acid1H-pyrrolo[2,3-c]pyridine-2-carbo×ylic acid

AKOS006323138CS-W021336FS-3559SB10411BL007542SY0196441H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 2-Carboxy-1H-pyrrolo[2,3-c]pyridineAMY9820

Database identifiers

CAS: 24334-20-1
PubChem CID: 21819002
DTXSID: DTXSID80618425
EC Number: 825-964-7

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 66 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Boiling point: 471.1 · 471.1±25.0 °C(Predicted)
Density: 1.506 · 1.506±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.27 · 3.27±0.30(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.