6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C9H7F3N2O2 — CID 58731114

IUPAC6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1c(C(F)(F)F)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C9H7F3N2O2/c1-4-6(9(10,11)12)5(3-13)8(16)14(2)7(4)15/h15H,1-2H3
InChIKeyBCCROYRBJOWBNW-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.29
Rot. Bonds

About 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58731114) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58731114
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1c(C(F)(F)F)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C9H7F3N2O2/c1-4-6(9(10,11)12)5(3-13)8(16)14(2)7(4)15/h15H,1-2H3
InChIKeyBCCROYRBJOWBNW-UHFFFAOYSA-N
XLogP1.29
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
2-Hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 54226750
2-Hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59482259
4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
CID 129278734
1-Ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 139839216
1-Butyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 140318541
6-Hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 155482654
2-Hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15333525
1-(Chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 21022658
1-(Cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 21022659
6-Hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
CID 23517638
1-Ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 58731114) is 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1c(C(F)(F)F)c(C#N)c(=O)n(C)c1O.
What is the InChIKey of 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BCCROYRBJOWBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-4-6(9(10,11)12)5(3-13)8(16)14(2)7(4)15/h15H,1-2H3.
What are the key properties of 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 232.16 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58731114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).