6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid

C12H7ClFNO2 — CID 46313827

IUPAC6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H7ClFNO2/c13-11-10(5-8(6-15-11)12(16)17)7-1-3-9(14)4-2-7/h1-6H,(H,16,17)
InChIKeyFCIPFWIKDALXQZ-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.24
Rot. Bonds2

About 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid

6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 46313827) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID46313827
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H7ClFNO2/c13-11-10(5-8(6-15-11)12(16)17)7-1-3-9(14)4-2-7/h1-6H,(H,16,17)
InChIKeyFCIPFWIKDALXQZ-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 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid (CID 46313827) is 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is FCIPFWIKDALXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-11-10(5-8(6-15-11)12(16)17)7-1-3-9(14)4-2-7/h1-6H,(H,16,17).
What are the key properties of 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
6-chloro-5-(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 6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 46313827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).