6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one

C12H11F3N2O — CID 68736633

IUPAC6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=CNC(C(F)(F)F)C=C2)cc(=O)[nH]1
InChIInChI=1S/C12H11F3N2O/c1-7-4-9(5-11(18)17-7)8-2-3-10(16-6-8)12(13,14)15/h2-6,10,16H,1H3,(H,17,18)
InChIKeySNVSZAIEDBUMAE-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.11
Rot. Bonds1

About 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one

6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one (PubChem CID 68736633) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one
PubChem CID68736633
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one
SMILESCc1cc(C2=CNC(C(F)(F)F)C=C2)cc(=O)[nH]1
InChIInChI=1S/C12H11F3N2O/c1-7-4-9(5-11(18)17-7)8-2-3-10(16-6-8)12(13,14)15/h2-6,10,16H,1H3,(H,17,18)
InChIKeySNVSZAIEDBUMAE-UHFFFAOYSA-N
XLogP2.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one (CID 68736633) is 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one is Cc1cc(C2=CNC(C(F)(F)F)C=C2)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is SNVSZAIEDBUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-4-9(5-11(18)17-7)8-2-3-10(16-6-8)12(13,14)15/h2-6,10,16H,1H3,(H,17,18).
What are the key properties of 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one?
6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 68736633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).