3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid

C15H13N3O2 — CID 19965302

IUPAC3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESNCc1cccn2cc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C15H13N3O2/c16-8-12-5-2-6-18-9-13(17-14(12)18)10-3-1-4-11(7-10)15(19)20/h1-7,9H,8,16H2,(H,19,20)
InChIKeyGVLHWILPDLWMHQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.16
Rot. Bonds3

About 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid

3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 19965302) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
PubChem CID19965302
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESNCc1cccn2cc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C15H13N3O2/c16-8-12-5-2-6-18-9-13(17-14(12)18)10-3-1-4-11(7-10)15(19)20/h1-7,9H,8,16H2,(H,19,20)
InChIKeyGVLHWILPDLWMHQ-UHFFFAOYSA-N
XLogP2.16
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide
CID 67712220
(2-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82059838
[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanamine
CID 82059827
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
[2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanamine
CID 117137631
2-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone
CID 58169072
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371614
N-(2-phenylimidazo[1,2-a]pyridin-8-yl)-3-pyrrolidin-1-ylbenzamide
CID 58208511
2-[3-(1,3-thiazol-2-yl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 142747312
3-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzoic acid
CID 82529675
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891

Frequently Asked Questions

What is the IUPAC name of 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The IUPAC name of 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 19965302) is 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid is NCc1cccn2cc(-c3cccc(C(=O)O)c3)nc12.
What is the InChIKey of 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The InChIKey is GVLHWILPDLWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-12-5-2-6-18-9-13(17-14(12)18)10-3-1-4-11(7-10)15(19)20/h1-7,9H,8,16H2,(H,19,20).
What are the key properties of 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 19965302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).