3-chloro-4-pyridin-2-ylbenzoic acid

C12H8ClNO2 — CID 68948514

IUPAC3-chloro-4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClNO2/c13-10-7-8(12(15)16)4-5-9(10)11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyGLNKJJVUVWJSMI-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

About 3-chloro-4-pyridin-2-ylbenzoic acid

3-chloro-4-pyridin-2-ylbenzoic acid (PubChem CID 68948514) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 3-chloro-4-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name3-chloro-4-pyridin-2-ylbenzoic acid
PubChem CID68948514
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name3-chloro-4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClNO2/c13-10-7-8(12(15)16)4-5-9(10)11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyGLNKJJVUVWJSMI-UHFFFAOYSA-N
XLogP3.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
4-(bromomethyl)-3-(4-pyridin-2-ylphenyl)benzoic acid
CID 68550431
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
3-[(4-chloro-5-methylsulfonyl-2-pyridin-2-ylphenyl)methylsulfonyl]-4-cyclopropylbenzoic acid
CID 167551067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-2-ylbenzoic acid?
The IUPAC name of 3-chloro-4-pyridin-2-ylbenzoic acid (CID 68948514) is 3-chloro-4-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 3-chloro-4-pyridin-2-ylbenzoic acid?
The canonical SMILES for 3-chloro-4-pyridin-2-ylbenzoic acid is O=C(O)c1ccc(-c2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-2-ylbenzoic acid?
The InChIKey is GLNKJJVUVWJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-7-8(12(15)16)4-5-9(10)11-3-1-2-6-14-11/h1-7H,(H,15,16).
What are the key properties of 3-chloro-4-pyridin-2-ylbenzoic acid?
3-chloro-4-pyridin-2-ylbenzoic acid has a molecular weight of 233.65 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 68948514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).