2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile

C12H11F3N2O — CID 81320206

IUPAC2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2c(C(F)(F)F)cccc2=O)CC1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10(18)17(9)8-11(4-5-11)6-7-16/h1-3H,4-6,8H2
InChIKeyPTWGPDUTDIYHKF-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.56
Rot. Bonds3

About 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile

2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile (PubChem CID 81320206) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile
PubChem CID81320206
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2c(C(F)(F)F)cccc2=O)CC1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10(18)17(9)8-11(4-5-11)6-7-16/h1-3H,4-6,8H2
InChIKeyPTWGPDUTDIYHKF-UHFFFAOYSA-N
XLogP2.56
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile (CID 81320206) is 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2c(C(F)(F)F)cccc2=O)CC1.
What is the InChIKey of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile?
The InChIKey is PTWGPDUTDIYHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10(18)17(9)8-11(4-5-11)6-7-16/h1-3H,4-6,8H2.
What are the key properties of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 81320206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).