3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid

C15H10Cl2FN3O2 — CID 22388477

IUPAC3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)nc2n1Cc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c1-7-19-12-2-3-13(15(22)23)20-14(12)21(7)6-8-4-11(18)10(17)5-9(8)16/h2-5H,6H2,1H3,(H,22,23)
InChIKeyJBDAURUMPYVOAH-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.93
Rot. Bonds3

About 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid

3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 22388477) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID22388477
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC Name3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)nc2n1Cc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c1-7-19-12-2-3-13(15(22)23)20-14(12)21(7)6-8-4-11(18)10(17)5-9(8)16/h2-5H,6H2,1H3,(H,22,23)
InChIKeyJBDAURUMPYVOAH-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (CID 22388477) is 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is Cc1nc2ccc(C(=O)O)nc2n1Cc1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is JBDAURUMPYVOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c1-7-19-12-2-3-13(15(22)23)20-14(12)21(7)6-8-4-11(18)10(17)5-9(8)16/h2-5H,6H2,1H3,(H,22,23).
What are the key properties of 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 354.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22388477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).