4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid

C15H12ClNO4 — CID 166163521

IUPAC4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(Cl)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-8-5-11(13(7-17-8)14(18)19)12-6-9(16)3-4-10(12)15(20)21-2/h3-7H,1-2H3,(H,18,19)
InChIKeyZINJJOVTLKWAQC-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.20
Rot. Bonds3

About 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid

4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 166163521) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
PubChem CID166163521
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(Cl)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-8-5-11(13(7-17-8)14(18)19)12-6-9(16)3-4-10(12)15(20)21-2/h3-7H,1-2H3,(H,18,19)
InChIKeyZINJJOVTLKWAQC-UHFFFAOYSA-N
XLogP3.20
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-chloro-2-fluorophenyl)-6-methylpyridine-3-carboxylate
CID 86695958
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53227913
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
2-(5-methoxy-2-methyl-4-pyridinyl)-4-propan-2-ylbenzoic acid
CID 177237992

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid (CID 166163521) is 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid is COC(=O)c1ccc(Cl)cc1-c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZINJJOVTLKWAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8-5-11(13(7-17-8)14(18)19)12-6-9(16)3-4-10(12)15(20)21-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid?
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 166163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).