5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid

C14H11NO4 — CID 50998562

IUPAC5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)11-5-6-12(13(16)17)15-8-11/h2-8H,1H3,(H,16,17)
InChIKeyUXCVQRSCAMYBOU-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.23
Rot. Bonds3

About 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid

5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid (PubChem CID 50998562) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
PubChem CID50998562
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)11-5-6-12(13(16)17)15-8-11/h2-8H,1H3,(H,16,17)
InChIKeyUXCVQRSCAMYBOU-UHFFFAOYSA-N
XLogP2.23
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
methyl 3-(6-cyano-3-pyridinyl)benzoate
CID 69487036
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
CID 90046409
methyl 3-pyridin-4-ylbenzoate
CID 5152687
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid (CID 50998562) is 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid is COC(=O)c1cccc(-c2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The InChIKey is UXCVQRSCAMYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)11-5-6-12(13(16)17)15-8-11/h2-8H,1H3,(H,16,17).
What are the key properties of 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 50998562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).