4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid

C15H13N3O2 — CID 20887719

IUPAC4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESCCc1nc2cccnc2n1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13N3O2/c1-2-13-17-12-4-3-9-16-14(12)18(13)11-7-5-10(6-8-11)15(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyADCAMFCCVIGDRE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.68
Rot. Bonds3

About 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid

4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid (PubChem CID 20887719) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid
PubChem CID20887719
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESCCc1nc2cccnc2n1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13N3O2/c1-2-13-17-12-4-3-9-16-14(12)18(13)11-7-5-10(6-8-11)15(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyADCAMFCCVIGDRE-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid (CID 20887719) is 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid is CCc1nc2cccnc2n1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The InChIKey is ADCAMFCCVIGDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-13-17-12-4-3-9-16-14(12)18(13)11-7-5-10(6-8-11)15(19)20/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 20887719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).