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

C10H9F3N2O — CID 103368103

IUPAC3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile
SMILESCc1cccc(=O)n1CC(C#N)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,6H2,1H3
InChIKeyPFAGYMBPOHTGEO-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.86
Rot. Bonds2

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

3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile (PubChem CID 103368103) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile
PubChem CID103368103
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile
SMILESCc1cccc(=O)n1CC(C#N)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,6H2,1H3
InChIKeyPFAGYMBPOHTGEO-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-3-(trifluoromethyl)-1(2H)-pyridinepropanenitrile
CID 2736731
2-(2-Methyl-6-oxo-1-pyridinyl)acetonitrile
CID 60876234
1-(2-Methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 70905371
6-(Difluoromethyl)-1-propan-2-ylpyridin-2-one
CID 141218769
1-Ethenyl-3-methyl-6-(trifluoromethyl)pyridin-2-one
CID 144035062
1-(1,1-Difluoropropyl)-2-oxopyridine-3-carbonitrile
CID 153732043
6-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 169227203
1-Propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 170587248
2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetonitrile
CID 45868337
2-Methyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanenitrile
CID 63280080
N-(2-cyanoethyl)-N-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanamide
CID 81308854
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanenitrile
CID 81318586

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile (CID 103368103) is 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile is Cc1cccc(=O)n1CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile?
The InChIKey is PFAGYMBPOHTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile?
3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile has a molecular weight of 230.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanenitrile is sourced from PubChem (CID 103368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).