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

C12H7Cl2NO2 — CID 68944876

IUPAC2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)7-3-4-8(12(16)17)10(14)6-7/h1-6H,(H,16,17)
InChIKeyUYCWQKBPZHMYLO-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

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

2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid (PubChem CID 68944876) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
PubChem CID68944876
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)7-3-4-8(12(16)17)10(14)6-7/h1-6H,(H,16,17)
InChIKeyUYCWQKBPZHMYLO-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The IUPAC name of 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid (CID 68944876) is 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ncccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
The InChIKey is UYCWQKBPZHMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-2-1-5-15-11(9)7-3-4-8(12(16)17)10(14)6-7/h1-6H,(H,16,17).
What are the key properties of 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid?
2-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 2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid is sourced from PubChem (CID 68944876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).