6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid

C14H11NO4 — CID 53223675

IUPAC6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)12-6-5-11(8-15-12)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyADRDFMXXXKLJKG-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.23
Rot. Bonds3

About 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid

6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid (PubChem CID 53223675) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
PubChem CID53223675
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)12-6-5-11(8-15-12)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyADRDFMXXXKLJKG-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

6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
4-(3-methoxycarbonylbenzoyl)oxycarbonylbenzoic acid
CID 175290504
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
methyl 3-pyridin-4-ylbenzoate
CID 5152687
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid (CID 53223675) is 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid is COC(=O)c1cccc(-c2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid?
The InChIKey is ADRDFMXXXKLJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)12-6-5-11(8-15-12)13(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid?
6-(3-methoxycarbonylphenyl)pyridine-3-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 6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).