2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C8H5F3N2O2 — CID 15333525

IUPAC2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H5F3N2O2/c1-13-6(14)2-5(8(9,10)11)4(3-12)7(13)15/h2,15H,1H3
InChIKeyRKXLAMBVQGGZGH-UHFFFAOYSA-N
MW218.13 g/mol
LogP0.98
Rot. Bonds

About 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 15333525) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID15333525
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H5F3N2O2/c1-13-6(14)2-5(8(9,10)11)4(3-12)7(13)15/h2,15H,1H3
InChIKeyRKXLAMBVQGGZGH-UHFFFAOYSA-N
XLogP0.98
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 15333525) is 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is Cn1c(O)c(C#N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RKXLAMBVQGGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-13-6(14)2-5(8(9,10)11)4(3-12)7(13)15/h2,15H,1H3.
What are the key properties of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 218.13 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 15333525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).