2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid

C12H7ClFNO2 — CID 46313848

IUPAC2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-11-9(12(16)17)5-6-10(15-11)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyMRKYCQCMUUONJH-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid

2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 46313848) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID46313848
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-11-9(12(16)17)5-6-10(15-11)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyMRKYCQCMUUONJH-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.24
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-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid (CID 46313848) is 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(F)cc2)nc1Cl.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is MRKYCQCMUUONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-11-9(12(16)17)5-6-10(15-11)7-1-3-8(14)4-2-7/h1-6H,(H,16,17).
What are the key properties of 2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 251.64 g/mol, XLogP of 3.24, 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-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 46313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).