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

C13H10F2N2O3S — CID 105380278

IUPAC2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N2O3S/c1-21(19,20)9-4-2-8(3-5-9)17-13(18)10-6-7-16-12(15)11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyWJHNEQDNJNZAQI-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.02
Rot. Bonds3

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

2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 105380278) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID105380278
Molecular FormulaC13H10F2N2O3S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N2O3S/c1-21(19,20)9-4-2-8(3-5-9)17-13(18)10-6-7-16-12(15)11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyWJHNEQDNJNZAQI-UHFFFAOYSA-N
XLogP2.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
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-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
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide (CID 105380278) is 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2ccnc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is WJHNEQDNJNZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c1-21(19,20)9-4-2-8(3-5-9)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-methylsulfonylphenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).