2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C10H9F3N2O — CID 1478207

IUPAC2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCCCc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C10H9F3N2O/c1-2-3-6-4-8(10(11,12)13)7(5-14)9(16)15-6/h4H,2-3H2,1H3,(H,15,16)
InChIKeyDJGJKAKZHXPMBI-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.22
Rot. Bonds2

About 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 1478207) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID1478207
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCCCc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C10H9F3N2O/c1-2-3-6-4-8(10(11,12)13)7(5-14)9(16)15-6/h4H,2-3H2,1H3,(H,15,16)
InChIKeyDJGJKAKZHXPMBI-UHFFFAOYSA-N
XLogP2.22
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.22
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-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
6-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 14677000
6-Cyclopropyl-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 67124272
4,6-dimethyl-2-oxo-5-prop-2-enyl-1H-pyridine-3-carbonitrile
CID 2728467
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-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 1478207) is 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is CCCc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is DJGJKAKZHXPMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-3-6-4-8(10(11,12)13)7(5-14)9(16)15-6/h4H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1478207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).