1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one

C10H12F3NO — CID 170583211

IUPAC1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one
SMILESCCCc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO/c1-3-4-7-6-14(2)9(5-8(7)15)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyIHRSFAISYKXARW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.36
Rot. Bonds2

About 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one

1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one (PubChem CID 170583211) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one
PubChem CID170583211
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one
SMILESCCCc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO/c1-3-4-7-6-14(2)9(5-8(7)15)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyIHRSFAISYKXARW-UHFFFAOYSA-N
XLogP2.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one?
The IUPAC name of 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one (CID 170583211) is 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one.
What is the SMILES notation for 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one?
The canonical SMILES for 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one is CCCc1cn(C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one?
The InChIKey is IHRSFAISYKXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-4-7-6-14(2)9(5-8(7)15)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one?
1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one has a molecular weight of 219.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one is sourced from PubChem (CID 170583211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).