2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile

C10H9F3N2O — CID 81318791

IUPAC2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile
SMILESCC(C#N)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H9F3N2O/c1-7(5-14)6-15-8(10(11,12)13)3-2-4-9(15)16/h2-4,7H,6H2,1H3
InChIKeyAFKOJNGRYUGCMK-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile

2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile (PubChem CID 81318791) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile
PubChem CID81318791
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile
SMILESCC(C#N)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H9F3N2O/c1-7(5-14)6-15-8(10(11,12)13)3-2-4-9(15)16/h2-4,7H,6H2,1H3
InChIKeyAFKOJNGRYUGCMK-UHFFFAOYSA-N
XLogP2.03
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile?
The IUPAC name of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile (CID 81318791) is 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile?
The canonical SMILES for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile is CC(C#N)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile?
The InChIKey is AFKOJNGRYUGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-7(5-14)6-15-8(10(11,12)13)3-2-4-9(15)16/h2-4,7H,6H2,1H3.
What are the key properties of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile?
2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile has a molecular weight of 230.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile is sourced from PubChem (CID 81318791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).