2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid

C15H13N3O2 — CID 82514415

IUPAC2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
SMILESCc1nc2cccnc2n1C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-10-17-12-8-5-9-16-14(12)18(10)13(15(19)20)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,19,20)
InChIKeyRXHDVIYTQBXCJF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid

2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid (PubChem CID 82514415) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
PubChem CID82514415
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
SMILESCc1nc2cccnc2n1C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-10-17-12-8-5-9-16-14(12)18(10)13(15(19)20)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,19,20)
InChIKeyRXHDVIYTQBXCJF-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid (CID 82514415) is 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid is Cc1nc2cccnc2n1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid?
The InChIKey is RXHDVIYTQBXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-17-12-8-5-9-16-14(12)18(10)13(15(19)20)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,19,20).
What are the key properties of 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid?
2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid is sourced from PubChem (CID 82514415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).