4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid

C13H8ClNO4 — CID 53229597

IUPAC4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H8ClNO4/c14-11-2-1-7(5-9(11)12(16)17)8-3-4-15-6-10(8)13(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyOIORQLVKHRWVJZ-UHFFFAOYSA-N
MW277.66 g/mol
LogP2.80
Rot. Bonds3

About 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid

4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid (PubChem CID 53229597) has the molecular formula C13H8ClNO4 and a molecular weight of 277.66 g/mol. Its IUPAC name is 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
PubChem CID53229597
Molecular FormulaC13H8ClNO4
Molecular Weight277.66 g/mol
Exact Mass277.01
IUPAC Name4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H8ClNO4/c14-11-2-1-7(5-9(11)12(16)17)8-3-4-15-6-10(8)13(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyOIORQLVKHRWVJZ-UHFFFAOYSA-N
XLogP2.80
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529
4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53229197
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 91551362
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid (CID 53229597) is 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccncc2C(=O)O)ccc1Cl.
What is the InChIKey of 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is OIORQLVKHRWVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO4/c14-11-2-1-7(5-9(11)12(16)17)8-3-4-15-6-10(8)13(18)19/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 277.66 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).