4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

C13H10ClNO3 — CID 53229506

IUPAC4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1ccncc1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-18-12-6-8(14)2-3-10(12)9-4-5-15-7-11(9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNGLWAFKNIXAWQI-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.11
Rot. Bonds3

About 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53229506) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53229506
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1ccncc1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-18-12-6-8(14)2-3-10(12)9-4-5-15-7-11(9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNGLWAFKNIXAWQI-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-2-methoxyphenyl)pyridine-3-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

Related Compounds

4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
4-(3-methoxy-6-methyl-2-pyridinyl)pyridine-3-carboxylic acid
CID 175489276
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (CID 53229506) is 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is COc1cc(Cl)ccc1-c1ccncc1C(=O)O.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is NGLWAFKNIXAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-12-6-8(14)2-3-10(12)9-4-5-15-7-11(9)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).