N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H11F3N2O2 — CID 64794112

IUPACN-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-6-3-10(7-18-12)13(21)19-11-4-1-9(8-20)2-5-11/h1-7,20H,8H2,(H,19,21)
InChIKeyLDJPNKYGUWHRRE-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 64794112) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID64794112
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-6-3-10(7-18-12)13(21)19-11-4-1-9(8-20)2-5-11/h1-7,20H,8H2,(H,19,21)
InChIKeyLDJPNKYGUWHRRE-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58256445
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 64794112) is N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(CO)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LDJPNKYGUWHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)12-6-3-10(7-18-12)13(21)19-11-4-1-9(8-20)2-5-11/h1-7,20H,8H2,(H,19,21).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 64794112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).