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

C10H12F3NO2 — CID 150653808

IUPAC1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESCCCCn1c(O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO2/c1-2-3-4-14-8(15)5-7(6-9(14)16)10(11,12)13/h5-6,15H,2-4H2,1H3
InChIKeyJCLCJYIUFUCGGQ-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.37
Rot. Bonds3

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

1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one (PubChem CID 150653808) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one
PubChem CID150653808
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESCCCCn1c(O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO2/c1-2-3-4-14-8(15)5-7(6-9(14)16)10(11,12)13/h5-6,15H,2-4H2,1H3
InChIKeyJCLCJYIUFUCGGQ-UHFFFAOYSA-N
XLogP2.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one (CID 150653808) is 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one is CCCCn1c(O)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is JCLCJYIUFUCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-3-4-14-8(15)5-7(6-9(14)16)10(11,12)13/h5-6,15H,2-4H2,1H3.
What are the key properties of 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one?
1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 150653808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).