2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C19H12F3N3O — CID 24950691

IUPAC2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)26-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)25-18(24)16(15)11-23/h1-10H,(H2,24,25)
InChIKeyIVNSNCNXTPPQFV-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.77
Rot. Bonds3

About 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24950691) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24950691
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)26-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)25-18(24)16(15)11-23/h1-10H,(H2,24,25)
InChIKeyIVNSNCNXTPPQFV-UHFFFAOYSA-N
XLogP4.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 24950691) is 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is IVNSNCNXTPPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)26-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)25-18(24)16(15)11-23/h1-10H,(H2,24,25).
What are the key properties of 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 355.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-4-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24950691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).