2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

C13H10ClFN2O — CID 9097781

IUPAC2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H10ClFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyPUYODJNIPZAOMC-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 9097781) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID9097781
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H10ClFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyPUYODJNIPZAOMC-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
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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Related Compounds

2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
N-(5-fluoro-2-methylphenyl)-8-hydroxyquinoline-7-carboxamide
CID 18372561
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (CID 9097781) is 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is PUYODJNIPZAOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 9097781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).