N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide

C12H8ClFN2O — CID 115496581

IUPACN-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(F)n1
InChIInChI=1S/C12H8ClFN2O/c13-8-3-1-4-9(7-8)15-12(17)10-5-2-6-11(14)16-10/h1-7H,(H,15,17)
InChIKeyISCJUXCVNDXNIK-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide

N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115496581) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115496581
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC NameN-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(F)n1
InChIInChI=1S/C12H8ClFN2O/c13-8-3-1-4-9(7-8)15-12(17)10-5-2-6-11(14)16-10/h1-7H,(H,15,17)
InChIKeyISCJUXCVNDXNIK-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 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 ≤ 53.13
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 N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide (CID 115496581) is N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccc(F)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is ISCJUXCVNDXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-8-3-1-4-9(7-8)15-12(17)10-5-2-6-11(14)16-10/h1-7H,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 250.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).