2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid

C14H12ClNO2 — CID 53222689

IUPAC2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(C)c(-c2cnc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO2/c1-8-3-4-9(2)10(5-8)12-7-16-13(15)6-11(12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyAMUADHTUAKDYKT-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid

2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid (PubChem CID 53222689) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
PubChem CID53222689
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(C)c(-c2cnc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO2/c1-8-3-4-9(2)10(5-8)12-7-16-13(15)6-11(12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyAMUADHTUAKDYKT-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
2-chloro-5-(4-fluoro-2-hydroxyphenyl)pyridine-4-carboxylic acid
CID 53222942
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-(4-carboxy-6-chloro-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53224362
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid
CID 53223105
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid (CID 53222689) is 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid is Cc1ccc(C)c(-c2cnc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The InChIKey is AMUADHTUAKDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-3-4-9(2)10(5-8)12-7-16-13(15)6-11(12)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid?
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid has a molecular weight of 261.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53222689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).