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

C14H12ClNO4 — CID 53223746

IUPAC2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)cc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H12ClNO4/c1-19-8-3-4-9(12(5-8)20-2)11-7-16-13(15)6-10(11)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyQHVLKQPVEOYQIH-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.12
Rot. Bonds4

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

2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid (PubChem CID 53223746) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
PubChem CID53223746
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)cc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H12ClNO4/c1-19-8-3-4-9(12(5-8)20-2)11-7-16-13(15)6-10(11)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyQHVLKQPVEOYQIH-UHFFFAOYSA-N
XLogP3.12
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-chloro-5-(4-fluoro-2-hydroxyphenyl)pyridine-4-carboxylic acid
CID 53222942
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid (CID 53223746) is 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid is COc1ccc(-c2cnc(Cl)cc2C(=O)O)c(OC)c1.
What is the InChIKey of 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is QHVLKQPVEOYQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-8-3-4-9(12(5-8)20-2)11-7-16-13(15)6-10(11)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid?
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53223746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).