3-(2-Phenylethyl)-3H-imidazo(4,5-b)pyridine-6-carboxylic acid

HCID 76058

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2814-33-7
Standard SMILES: O=C(O)c1cnc2c(c1)ncn2CCc1ccccc1
InChIKey: QAYMJLPQYAXRNW-UHFFFAOYSA-N
Molecular formula: C15H13N3O2
Average molar mass: 267.28 g/mol
Monoisotopic mass: 267.10077667

Names & identifiers

Preferred name: 3-(2-Phenylethyl)-3H-imidazo(4,5-b)pyridine-6-carboxylic acid
IUPAC: 3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
English name: 3-(2-Phenylethyl)-3H-imidazo[4,5-b]pyridine-6-carboxylic acid
Molecular formula: C15H13N3O2
Molecular weight: 0

Names & synonyms

2814-33-7Imidazo(4,5-b)pyridine-6-carboxylic acid, 3-phenethyl-3-(2-phenylethyl)-3h-imidazo[4,5-b]pyridine-6-carboxylic acidDTXSID001824113-(2-Phenylethyl)-3H-imidazo(4,5-b)pyridine-6-carboxylic acidRefChem:1066619DTXCID101049023-Phenethyl-3H-imidazo[4,5-b]pyridine-6-carboxylic acidBRN 08160543-Phenethylimidazo(4,5-b)pyridine-6-carboxylic acid

Database identifiers

CAS: 2814-33-7
PubChem CID: 76058
DTXSID: DTXSID00182411
Nikkaji: J40.957J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 68 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 344

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…