2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid

C12H7Cl2NO2 — CID 23445120

IUPAC2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)11-6-8(12(16)17)3-4-15-11/h1-6H,(H,16,17)
InChIKeyAIWRQMGITVCISW-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid

2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 23445120) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID23445120
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)11-6-8(12(16)17)3-4-15-11/h1-6H,(H,16,17)
InChIKeyAIWRQMGITVCISW-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-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid (CID 23445120) is 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is AIWRQMGITVCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)11-6-8(12(16)17)3-4-15-11/h1-6H,(H,16,17).
What are the key properties of 2-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
2-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 23445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).