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

C10H7F3N2O — CID 7017243

IUPAC4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CC2)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-6(5-1-2-5)7(4-14)9(16)15-8/h3,5H,1-2H2,(H,15,16)
InChIKeyXVNJYHDGYUKQIV-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.14
Rot. Bonds1

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

4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 7017243) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID7017243
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CC2)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-6(5-1-2-5)7(4-14)9(16)15-8/h3,5H,1-2H2,(H,15,16)
InChIKeyXVNJYHDGYUKQIV-UHFFFAOYSA-N
XLogP2.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 7017243) is 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C2CC2)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is XVNJYHDGYUKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-3-6(5-1-2-5)7(4-14)9(16)15-8/h3,5H,1-2H2,(H,15,16).
What are the key properties of 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 228.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 7017243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).