3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide

C14H12BrN3O2 — CID 67712220

IUPAC3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide
SMILESBr.Nc1cccn2cc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C14H11N3O2.BrH/c15-11-5-2-6-17-8-12(16-13(11)17)9-3-1-4-10(7-9)14(18)19;/h1-8H,15H2,(H,18,19);1H
InChIKeyLSEMSYVZUHESGZ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.86
Rot. Bonds2

About 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide

3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide (PubChem CID 67712220) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide.

Molecular Properties

Compound Name3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide
PubChem CID67712220
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide
SMILESBr.Nc1cccn2cc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C14H11N3O2.BrH/c15-11-5-2-6-17-8-12(16-13(11)17)9-3-1-4-10(7-9)14(18)19;/h1-8H,15H2,(H,18,19);1H
InChIKeyLSEMSYVZUHESGZ-UHFFFAOYSA-N
XLogP2.86
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide?
The IUPAC name of 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide (CID 67712220) is 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide.
What is the SMILES notation for 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide?
The canonical SMILES for 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide is Br.Nc1cccn2cc(-c3cccc(C(=O)O)c3)nc12.
What is the InChIKey of 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide?
The InChIKey is LSEMSYVZUHESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2.BrH/c15-11-5-2-6-17-8-12(16-13(11)17)9-3-1-4-10(7-9)14(18)19;/h1-8H,15H2,(H,18,19);1H.
What are the key properties of 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide?
3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide has a molecular weight of 334.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-aminoimidazo[1,2-a]pyridin-2-yl)benzoic acid;hydrobromide is sourced from PubChem (CID 67712220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).