2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

C12H9F2N3O — CID 107470488

IUPAC2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cncc(NC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C12H9F2N3O/c1-7-4-8(6-15-5-7)17-12(18)9-2-3-16-11(14)10(9)13/h2-6H,1H3,(H,17,18)
InChIKeyGCYPVSOXXQQQRG-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.32
Rot. Bonds2

About 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 107470488) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID107470488
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cncc(NC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C12H9F2N3O/c1-7-4-8(6-15-5-7)17-12(18)9-2-3-16-11(14)10(9)13/h2-6H,1H3,(H,17,18)
InChIKeyGCYPVSOXXQQQRG-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
2-fluoro-4-hydroxy-N-(5-methyl-3-pyridinyl)benzamide
CID 107676884
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (CID 107470488) is 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is Cc1cncc(NC(=O)c2ccnc(F)c2F)c1.
What is the InChIKey of 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is GCYPVSOXXQQQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c1-7-4-8(6-15-5-7)17-12(18)9-2-3-16-11(14)10(9)13/h2-6H,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 107470488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).