5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide

C12H8ClFN2O — CID 71303513

IUPAC5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-1-2-10(11(14)4-9)7-3-8(12(15)17)6-16-5-7/h1-6H,(H2,15,17)
InChIKeyOHZLEVYIGIFMDW-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.64
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide

5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 71303513) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
PubChem CID71303513
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-1-2-10(11(14)4-9)7-3-8(12(15)17)6-16-5-7/h1-6H,(H2,15,17)
InChIKeyOHZLEVYIGIFMDW-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide (CID 71303513) is 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide is NC(=O)c1cncc(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is OHZLEVYIGIFMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-9-1-2-10(11(14)4-9)7-3-8(12(15)17)6-16-5-7/h1-6H,(H2,15,17).
What are the key properties of 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 250.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71303513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).