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

C13H10ClNO2 — CID 53223423

IUPAC3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-8-2-3-9(12(14)6-8)11-7-15-5-4-10(11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyPGZUMAIVFZBMKP-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.41
Rot. Bonds2

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

3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid (PubChem CID 53223423) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
PubChem CID53223423
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-8-2-3-9(12(14)6-8)11-7-15-5-4-10(11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyPGZUMAIVFZBMKP-UHFFFAOYSA-N
XLogP3.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
5-methyl-2-pyrazin-2-ylbenzoic acid
CID 81111608
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid
CID 66474068
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid (CID 53223423) is 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid is Cc1ccc(-c2cnccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid?
The InChIKey is PGZUMAIVFZBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8-2-3-9(12(14)6-8)11-7-15-5-4-10(11)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid?
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid has a molecular weight of 247.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53223423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).