6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid

C12H7Cl2NO2 — CID 24729990

IUPAC6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyGPUUXDZIZHGFQS-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid

6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 24729990) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
PubChem CID24729990
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyGPUUXDZIZHGFQS-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 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (CID 24729990) is 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is GPUUXDZIZHGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
6-(3,5-dichlorophenyl)pyridine-3-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 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).