6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C8H5F3N2O — CID 71628563

IUPAC6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(F)(F)F
InChIInChI=1S/C8H5F3N2O/c1-4-6(8(9,10)11)2-5(3-12)7(14)13-4/h2H,1H3,(H,13,14)
InChIKeyUJUWQANPOPHCAQ-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.57
Rot. Bonds

About 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 71628563) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID71628563
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(F)(F)F
InChIInChI=1S/C8H5F3N2O/c1-4-6(8(9,10)11)2-5(3-12)7(14)13-4/h2H,1H3,(H,13,14)
InChIKeyUJUWQANPOPHCAQ-UHFFFAOYSA-N
XLogP1.57
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 71628563) is 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(F)(F)F.
What is the InChIKey of 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is UJUWQANPOPHCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-4-6(8(9,10)11)2-5(3-12)7(14)13-4/h2H,1H3,(H,13,14).
What are the key properties of 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 71628563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).