6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one

C9H10F3NO — CID 18526012

IUPAC6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCc1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3NO/c1-2-3-7-4-6(9(10,11)12)5-8(14)13-7/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyKIPUZHQWADBGHG-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.35
Rot. Bonds2

About 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one

6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 18526012) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID18526012
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCc1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3NO/c1-2-3-7-4-6(9(10,11)12)5-8(14)13-7/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyKIPUZHQWADBGHG-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
4-(trifluoromethyl)-1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
CID 46942366
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
4,6-Dimethylpyridin-2-ol
CID 226288
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546

Frequently Asked Questions

What is the IUPAC name of 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 18526012) is 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one is CCCc1cc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KIPUZHQWADBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-3-7-4-6(9(10,11)12)5-8(14)13-7/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 18526012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).