6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C14H10F4N2O2 — CID 146193236

IUPAC6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)nc1
InChIInChI=1S/C14H10F4N2O2/c15-12-6-3-10(8-19-12)13(21)20-7-9-1-4-11(5-2-9)22-14(16,17)18/h1-6,8H,7H2,(H,20,21)
InChIKeyCDJUNMFVEHFEGR-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.05
Rot. Bonds4

About 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 146193236) has the molecular formula C14H10F4N2O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID146193236
Molecular FormulaC14H10F4N2O2
Molecular Weight314.24 g/mol
Exact Mass314.07
IUPAC Name6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)nc1
InChIInChI=1S/C14H10F4N2O2/c15-12-6-3-10(8-19-12)13(21)20-7-9-1-4-11(5-2-9)22-14(16,17)18/h1-6,8H,7H2,(H,20,21)
InChIKeyCDJUNMFVEHFEGR-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 154837884
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
6-chloro-N-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenyl]methyl]pyridine-3-carboxamide
CID 89158031
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 135309187
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613859
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87488219

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 146193236) is 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is CDJUNMFVEHFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2/c15-12-6-3-10(8-19-12)13(21)20-7-9-1-4-11(5-2-9)22-14(16,17)18/h1-6,8H,7H2,(H,20,21).
What are the key properties of 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 314.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 146193236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).