2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide

C9H3F9N2O — CID 141497618

IUPAC2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H3F9N2O/c10-7(11,12)2-1-3(8(13,14)15)20-5(9(16,17)18)4(2)6(19)21/h1H,(H2,19,21)
InChIKeyKYYDISPFPANPNR-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.24
Rot. Bonds1

About 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide

2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 141497618) has the molecular formula C9H3F9N2O and a molecular weight of 326.12 g/mol. Its IUPAC name is 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide
PubChem CID141497618
Molecular FormulaC9H3F9N2O
Molecular Weight326.12 g/mol
Exact Mass326.01
IUPAC Name2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H3F9N2O/c10-7(11,12)2-1-3(8(13,14)15)20-5(9(16,17)18)4(2)6(19)21/h1H,(H2,19,21)
InChIKeyKYYDISPFPANPNR-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118824321
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
2-[chloro(difluoro)methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165455749
methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate
CID 10406262
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
CID 22392850
1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139891635
ethyl 2,4-bis(trifluoromethyl)-6-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate
CID 10048578
2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 165153565
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide (CID 141497618) is 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KYYDISPFPANPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F9N2O/c10-7(11,12)2-1-3(8(13,14)15)20-5(9(16,17)18)4(2)6(19)21/h1H,(H2,19,21).
What are the key properties of 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide?
2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 326.12 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 141497618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).