2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid

C12H7Cl2NO2 — CID 79020635

IUPAC2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-11(14)15-10/h1-6H,(H,16,17)
InChIKeyRHACLCDAAUTUAL-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid

2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid (PubChem CID 79020635) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
PubChem CID79020635
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-11(14)15-10/h1-6H,(H,16,17)
InChIKeyRHACLCDAAUTUAL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid (CID 79020635) is 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is RHACLCDAAUTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-11(14)15-10/h1-6H,(H,16,17).
What are the key properties of 2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid?
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic 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-6-(4-chlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 79020635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).