3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide

C15H10F6N2O — CID 87057193

IUPAC3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c(F)cc(F)cc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-8-6-11(17)9(12(18)7-8)3-5-23-14(24)13-10(15(19,20)21)2-1-4-22-13/h1-2,4,6-7H,3,5H2,(H,23,24)
InChIKeyQYRWNFZSNAJPDL-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.49
Rot. Bonds4

About 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide

3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 87057193) has the molecular formula C15H10F6N2O and a molecular weight of 348.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID87057193
Molecular FormulaC15H10F6N2O
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC Name3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c(F)cc(F)cc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-8-6-11(17)9(12(18)7-8)3-5-23-14(24)13-10(15(19,20)21)2-1-4-22-13/h1-2,4,6-7H,3,5H2,(H,23,24)
InChIKeyQYRWNFZSNAJPDL-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide (CID 87057193) is 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1c(F)cc(F)cc1F)c1ncccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is QYRWNFZSNAJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O/c16-8-6-11(17)9(12(18)7-8)3-5-23-14(24)13-10(15(19,20)21)2-1-4-22-13/h1-2,4,6-7H,3,5H2,(H,23,24).
What are the key properties of 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide?
3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 348.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 87057193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).