2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid

C13H8ClNO4 — CID 53224258

IUPAC2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ncccc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H8ClNO4/c14-10-4-3-7(6-9(10)13(18)19)11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)(H,18,19)
InChIKeyBLSRMVIUXHWHCS-UHFFFAOYSA-N
MW277.66 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid

2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid (PubChem CID 53224258) has the molecular formula C13H8ClNO4 and a molecular weight of 277.66 g/mol. Its IUPAC name is 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
PubChem CID53224258
Molecular FormulaC13H8ClNO4
Molecular Weight277.66 g/mol
Exact Mass277.01
IUPAC Name2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ncccc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H8ClNO4/c14-10-4-3-7(6-9(10)13(18)19)11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)(H,18,19)
InChIKeyBLSRMVIUXHWHCS-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

2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
CID 82089170
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 57210364
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
CID 118468758
CID 118468758
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid (CID 53224258) is 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ncccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is BLSRMVIUXHWHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO4/c14-10-4-3-7(6-9(10)13(18)19)11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid?
2-(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 2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53224258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).