5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid

C13H10ClNO2 — CID 53223446

IUPAC5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H10ClNO2/c1-8-10(3-2-4-11(8)14)9-5-6-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyMOYQMXFISXYBHF-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.41
Rot. Bonds2

About 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid

5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 53223446) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
PubChem CID53223446
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H10ClNO2/c1-8-10(3-2-4-11(8)14)9-5-6-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyMOYQMXFISXYBHF-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid (CID 53223446) is 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid is Cc1c(Cl)cccc1-c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is MOYQMXFISXYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8-10(3-2-4-11(8)14)9-5-6-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
5-(3-chloro-2-methylphenyl)pyridine-2-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 5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).