5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide

C11H6F3N3O — CID 12987868

IUPAC5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cnc(F)c(F)c1
InChIInChI=1S/C11H6F3N3O/c12-8-3-6(4-16-10(8)14)11(18)17-7-1-2-9(13)15-5-7/h1-5H,(H,17,18)
InChIKeySIPXSGCLAFNEJU-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.15
Rot. Bonds2

About 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide

5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 12987868) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
PubChem CID12987868
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cnc(F)c(F)c1
InChIInChI=1S/C11H6F3N3O/c12-8-3-6(4-16-10(8)14)11(18)17-7-1-2-9(13)15-5-7/h1-5H,(H,17,18)
InChIKeySIPXSGCLAFNEJU-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.15
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

3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide (CID 12987868) is 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)nc1)c1cnc(F)c(F)c1.
What is the InChIKey of 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SIPXSGCLAFNEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-8-3-6(4-16-10(8)14)11(18)17-7-1-2-9(13)15-5-7/h1-5H,(H,17,18).
What are the key properties of 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 253.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 12987868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).