1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C13H8F3N3O — CID 2728485

IUPAC1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N)c1=O
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)19(18)12(20)9(10)7-17/h1-6H,18H2
InChIKeyXBEQHWITHNHVPU-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.12
Rot. Bonds1

About 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2728485) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2728485
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N)c1=O
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)19(18)12(20)9(10)7-17/h1-6H,18H2
InChIKeyXBEQHWITHNHVPU-UHFFFAOYSA-N
XLogP2.12
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2728485) is 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N)c1=O.
What is the InChIKey of 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XBEQHWITHNHVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)19(18)12(20)9(10)7-17/h1-6H,18H2.
What are the key properties of 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).