2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid

C14H11N3O2 — CID 117128079

IUPAC2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESNc1cccn2cc(-c3ccccc3C(=O)O)nc12
InChIInChI=1S/C14H11N3O2/c15-11-6-3-7-17-8-12(16-13(11)17)9-4-1-2-5-10(9)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeyLNALJFVQKUTRAQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.28
Rot. Bonds2

About 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid

2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid (PubChem CID 117128079) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid
PubChem CID117128079
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESNc1cccn2cc(-c3ccccc3C(=O)O)nc12
InChIInChI=1S/C14H11N3O2/c15-11-6-3-7-17-8-12(16-13(11)17)9-4-1-2-5-10(9)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeyLNALJFVQKUTRAQ-UHFFFAOYSA-N
XLogP2.28
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.28
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-(8-methylimidazo[1,2-a]pyridin-2-yl)aniline
CID 117158401
2-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83824882
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
2-(2-amino-1,3-thiazol-4-yl)benzoic acid
CID 1409773
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-8-amine
CID 117137082
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
acetylene;2-phenylbenzoic acid
CID 67726329
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
2-aminobenzoic acid;azane
CID 21425790

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid (CID 117128079) is 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid is Nc1cccn2cc(-c3ccccc3C(=O)O)nc12.
What is the InChIKey of 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The InChIKey is LNALJFVQKUTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-11-6-3-7-17-8-12(16-13(11)17)9-4-1-2-5-10(9)14(18)19/h1-8H,15H2,(H,18,19).
What are the key properties of 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid?
2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117128079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).