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

C9H10F3NO2 — CID 150965498

IUPAC6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCn1c(O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO2/c1-2-3-13-7(14)4-6(5-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3
InChIKeyLMZLUQJCXDMAQM-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.98
Rot. Bonds2

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

6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 150965498) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID150965498
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCn1c(O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO2/c1-2-3-13-7(14)4-6(5-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3
InChIKeyLMZLUQJCXDMAQM-UHFFFAOYSA-N
XLogP1.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one (CID 150965498) is 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one is CCCn1c(O)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is LMZLUQJCXDMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-2-3-13-7(14)4-6(5-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3.
What are the key properties of 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one?
6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-propyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 150965498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).