2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid

C14H12ClNO3 — CID 95481855

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-5-13(19-2)11(15)7-10(8)12-6-9(14(17)18)3-4-16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyMMIUZYKDVMFWBG-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.42
Rot. Bonds3

About 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid

2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid (PubChem CID 95481855) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
PubChem CID95481855
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-5-13(19-2)11(15)7-10(8)12-6-9(14(17)18)3-4-16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyMMIUZYKDVMFWBG-UHFFFAOYSA-N
XLogP3.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
CID 169304234
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515861
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-[5-(4-chloro-2-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407838
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid (CID 95481855) is 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid is COc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid?
The InChIKey is MMIUZYKDVMFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-5-13(19-2)11(15)7-10(8)12-6-9(14(17)18)3-4-16-12/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid?
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 95481855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).