2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide

C13H10F2N2O — CID 105380183

IUPAC2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-6-7-16-12(15)11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyLVEOBAUZXYXTPS-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.92
Rot. Bonds2

About 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide

2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide (PubChem CID 105380183) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
PubChem CID105380183
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-6-7-16-12(15)11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyLVEOBAUZXYXTPS-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.92
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

N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380332
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide (CID 105380183) is 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is LVEOBAUZXYXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-6-7-16-12(15)11(10)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide has a molecular weight of 248.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).