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

C12H5F5N2O — CID 105381162

IUPAC2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1ccnc(F)c1F
InChIInChI=1S/C12H5F5N2O/c13-5-3-7(14)10(16)8(4-5)19-12(20)6-1-2-18-11(17)9(6)15/h1-4H,(H,19,20)
InChIKeyZKCGCIQZBCQZKX-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.03
Rot. Bonds2

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

2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 105381162) has the molecular formula C12H5F5N2O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
PubChem CID105381162
Molecular FormulaC12H5F5N2O
Molecular Weight288.18 g/mol
Exact Mass288.03
IUPAC Name2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1ccnc(F)c1F
InChIInChI=1S/C12H5F5N2O/c13-5-3-7(14)10(16)8(4-5)19-12(20)6-1-2-18-11(17)9(6)15/h1-4H,(H,19,20)
InChIKeyZKCGCIQZBCQZKX-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62813132
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-bromo-5-sulfanyl-N-(2,3,5-trifluorophenyl)benzamide
CID 107028638
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380454

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide (CID 105381162) is 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(F)cc(F)c1F)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is ZKCGCIQZBCQZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5N2O/c13-5-3-7(14)10(16)8(4-5)19-12(20)6-1-2-18-11(17)9(6)15/h1-4H,(H,19,20).
What are the key properties of 2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 3.03, 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-(2,3,5-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).