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

C12H8ClNO2 — CID 53222992

IUPAC3-(2-chlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16)
InChIKeyOROMMXJYBKJRMH-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

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

3-(2-chlorophenyl)pyridine-4-carboxylic acid (PubChem CID 53222992) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)pyridine-4-carboxylic acid
PubChem CID53222992
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name3-(2-chlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16)
InChIKeyOROMMXJYBKJRMH-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-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
4-(2-chlorophenyl)furan-3-carboxylic acid
CID 117223453
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)pyridine-4-carboxylic acid (CID 53222992) is 3-(2-chlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is OROMMXJYBKJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)pyridine-4-carboxylic acid?
3-(2-chlorophenyl)pyridine-4-carboxylic 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-(2-chlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53222992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).