1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one

C10H12F3NO — CID 168930548

IUPAC1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one
SMILESCCCc1cc(C(F)(F)F)c(=O)n(C)c1
InChIInChI=1S/C10H12F3NO/c1-3-4-7-5-8(10(11,12)13)9(15)14(2)6-7/h5-6H,3-4H2,1-2H3
InChIKeyUQOGMPNBAHVNDN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.36
Rot. Bonds2

About 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one

1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 168930548) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID168930548
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one
SMILESCCCc1cc(C(F)(F)F)c(=O)n(C)c1
InChIInChI=1S/C10H12F3NO/c1-3-4-7-5-8(10(11,12)13)9(15)14(2)6-7/h5-6H,3-4H2,1-2H3
InChIKeyUQOGMPNBAHVNDN-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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Related Compounds

2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 58450097
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
3-Fluoro-1,5-dimethylpyridin-2-one
CID 66924423
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
5-tert-butyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 68061654
1-(trifluoromethyl)-5-vinylpyridin-2(1H)-one
CID 68756952
5-Methyl-1-(trifluoromethyl)pyridin-2-one
CID 69937563
5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 70811435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one (CID 168930548) is 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one is CCCc1cc(C(F)(F)F)c(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is UQOGMPNBAHVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-4-7-5-8(10(11,12)13)9(15)14(2)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one?
1-methyl-5-propyl-3-(trifluoromethyl)pyridin-2-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-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 168930548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).