2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile

C9H7F3N2O — CID 14836978

IUPAC2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESCc1cc(C(F)(F)F)cn(CC#N)c1=O
InChIInChI=1S/C9H7F3N2O/c1-6-4-7(9(10,11)12)5-14(3-2-13)8(6)15/h4-5H,3H2,1H3
InChIKeySQTFXQDDSNWBTG-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.70
Rot. Bonds1

About 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile

2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile (PubChem CID 14836978) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
PubChem CID14836978
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESCc1cc(C(F)(F)F)cn(CC#N)c1=O
InChIInChI=1S/C9H7F3N2O/c1-6-4-7(9(10,11)12)5-14(3-2-13)8(6)15/h4-5H,3H2,1H3
InChIKeySQTFXQDDSNWBTG-UHFFFAOYSA-N
XLogP1.70
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
CID 155541424
1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1471023
2-Oxo-3-(trifluoromethyl)-1(2H)-pyridinepropanenitrile
CID 2736731
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
2-(3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)acetonitrile
CID 14836974
2-[3-Fluoro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836975
2-[3-Bromo-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836976
2-[3-Iodo-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836977
1-(Cyanomethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 14836981
2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetonitrile
CID 14836987

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile (CID 14836978) is 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile is Cc1cc(C(F)(F)F)cn(CC#N)c1=O.
What is the InChIKey of 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The InChIKey is SQTFXQDDSNWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-6-4-7(9(10,11)12)5-14(3-2-13)8(6)15/h4-5H,3H2,1H3.
What are the key properties of 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile has a molecular weight of 216.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile is sourced from PubChem (CID 14836978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).