N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide

C14H11F3N2O2 — CID 3058191

IUPACN-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12(20)9-3-5-11(6-4-9)19-13(21)10-2-1-7-18-8-10/h1-8,12,20H,(H,19,21)
InChIKeyJXVJRUGUGSBTPR-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.93
Rot. Bonds3

About N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide

N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide (PubChem CID 3058191) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide
PubChem CID3058191
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12(20)9-3-5-11(6-4-9)19-13(21)10-2-1-7-18-8-10/h1-8,12,20H,(H,19,21)
InChIKeyJXVJRUGUGSBTPR-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide (CID 3058191) is N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JXVJRUGUGSBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)12(20)9-3-5-11(6-4-9)19-13(21)10-2-1-7-18-8-10/h1-8,12,20H,(H,19,21).
What are the key properties of N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide?
N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3058191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).