(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol

C13H13FN2O — CID 106884091

IUPAC(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol
SMILESCc1cc(C)c(C(O)c2ccnnc2)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-8-5-9(2)12(11(14)6-8)13(17)10-3-4-15-16-7-10/h3-7,13,17H,1-2H3
InChIKeyOPPJYNJRTKDKNE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.31
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol

(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol (PubChem CID 106884091) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol
PubChem CID106884091
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol
SMILESCc1cc(C)c(C(O)c2ccnnc2)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-8-5-9(2)12(11(14)6-8)13(17)10-3-4-15-16-7-10/h3-7,13,17H,1-2H3
InChIKeyOPPJYNJRTKDKNE-UHFFFAOYSA-N
XLogP2.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
Phenyl(4-pyridazinyl)methanol
CID 13205669
4-(a-Methoxybenzyl)pyridazin
CID 13205671
1-[5-Fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol
CID 58368474
[2-Pyridazin-4-yl-4-(trifluoromethyl)phenyl]methanol
CID 66652718
(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol
CID 148680815
Diphenyl(pyridazin-4-yl)methanol
CID 11391365
(5-Methyl-4-pyridazinyl)phenylmethanol
CID 13205673
1-Phenyl-(4-pyridazinyl)ethanol
CID 13205675
2,2-Dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol
CID 134994756
(3,6-Difluoropyridazin-4-yl)-phenylmethanol
CID 21858542
[2-Methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol
CID 102759181

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol (CID 106884091) is (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol is Cc1cc(C)c(C(O)c2ccnnc2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol?
The InChIKey is OPPJYNJRTKDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-5-9(2)12(11(14)6-8)13(17)10-3-4-15-16-7-10/h3-7,13,17H,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol?
(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol has a molecular weight of 232.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 106884091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).