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

C10H9F3N2O2 — CID 54226750

IUPAC2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H9F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h4,17H,2-3H2,1H3
InChIKeyARQUPKCRPLWDJN-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.85
Rot. Bonds2

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

2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 54226750) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID54226750
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H9F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h4,17H,2-3H2,1H3
InChIKeyARQUPKCRPLWDJN-UHFFFAOYSA-N
XLogP1.85
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3146302
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
6-Hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2825068
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815
1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 93716
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016231
1-Hexyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11022536
6-Hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58731114

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 54226750) is 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CCCn1c(O)c(C#N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ARQUPKCRPLWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h4,17H,2-3H2,1H3.
What are the key properties of 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 246.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 54226750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).