2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one

C9H11F3N2O2 — CID 99824501

IUPAC2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC[C@@H](O)Cn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-6(15)5-14-8(16)4-3-7(13-14)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1
InChIKeyUOQYPBHSZRLUMB-ZCFIWIBFSA-N
MW236.19 g/mol
LogP1.03
Rot. Bonds3

About 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one

2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 99824501) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID99824501
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC[C@@H](O)Cn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-6(15)5-14-8(16)4-3-7(13-14)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1
InChIKeyUOQYPBHSZRLUMB-ZCFIWIBFSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one
CID 71910005
2-[(2S)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824500
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103769738
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103769978
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103770479
N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 103857328
N-(2-hydroxyethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 103857448

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one (CID 99824501) is 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one is CC[C@@H](O)Cn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is UOQYPBHSZRLUMB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-6(15)5-14-8(16)4-3-7(13-14)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 236.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 99824501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).