3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid

C12H7Cl2NO2 — CID 68947647

IUPAC3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17)
InChIKeyIONVZVDPWPEECP-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid

3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid (PubChem CID 68947647) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
PubChem CID68947647
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17)
InChIKeyIONVZVDPWPEECP-UHFFFAOYSA-N
XLogP3.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249
3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
CID 167767166
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610
4-chloro-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 60998970
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103442924

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The IUPAC name of 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid (CID 68947647) is 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The canonical SMILES for 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ncccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The InChIKey is IONVZVDPWPEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17).
What are the key properties of 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid has a molecular weight of 268.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid is sourced from PubChem (CID 68947647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).