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

C12H8ClNO2 — CID 46317024

IUPAC2-chloro-3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-9(8-3-2-6-14-7-8)4-1-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyMUXRASHACNYQFX-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

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

2-chloro-3-pyridin-3-ylbenzoic acid (PubChem CID 46317024) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-3-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-3-pyridin-3-ylbenzoic acid
PubChem CID46317024
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name2-chloro-3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-9(8-3-2-6-14-7-8)4-1-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyMUXRASHACNYQFX-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

2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252354
3-pyridin-3-ylbenzoic acid
CID 2795575
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 163208387
3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
CID 174660376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyridin-3-ylbenzoic acid?
The IUPAC name of 2-chloro-3-pyridin-3-ylbenzoic acid (CID 46317024) is 2-chloro-3-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-chloro-3-pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-chloro-3-pyridin-3-ylbenzoic acid is O=C(O)c1cccc(-c2cccnc2)c1Cl.
What is the InChIKey of 2-chloro-3-pyridin-3-ylbenzoic acid?
The InChIKey is MUXRASHACNYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-11-9(8-3-2-6-14-7-8)4-1-5-10(11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 2-chloro-3-pyridin-3-ylbenzoic acid?
2-chloro-3-pyridin-3-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 2-chloro-3-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 46317024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).