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

C8H5F3N2O — CID 146583678

IUPAC2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C(F)(F)F)cc1C#N
InChIInChI=1S/C8H5F3N2O/c1-4-5(3-12)2-6(7(14)13-4)8(9,10)11/h2H,1H3,(H,13,14)
InChIKeyQZRTZSQRHJQJMK-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.57
Rot. Bonds

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

2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 146583678) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID146583678
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C(F)(F)F)cc1C#N
InChIInChI=1S/C8H5F3N2O/c1-4-5(3-12)2-6(7(14)13-4)8(9,10)11/h2H,1H3,(H,13,14)
InChIKeyQZRTZSQRHJQJMK-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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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
6-Cyclopropyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 4302841
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12944925
2-Hydroxy-4,5,6-trimethylnicotinonitrile
CID 642508
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
2-Hydroxy-6-ethylpyridine-3-carbonitrile
CID 10487008
6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10583113
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 590532
5-Ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10241109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 146583678) is 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is QZRTZSQRHJQJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-4-5(3-12)2-6(7(14)13-4)8(9,10)11/h2H,1H3,(H,13,14).
What are the key properties of 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-methyl-6-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 2-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 146583678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).