[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol

C13H11F3N2O — CID 102759181

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1ccnnc1
InChIInChI=1S/C13H11F3N2O/c1-8-6-10(13(14,15)16)2-3-11(8)12(19)9-4-5-17-18-7-9/h2-7,12,19H,1H3
InChIKeyGSERPKLZNNUTEP-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.89
Rot. Bonds2

About [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol

[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol (PubChem CID 102759181) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol
PubChem CID102759181
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1ccnnc1
InChIInChI=1S/C13H11F3N2O/c1-8-6-10(13(14,15)16)2-3-11(8)12(19)9-4-5-17-18-7-9/h2-7,12,19H,1H3
InChIKeyGSERPKLZNNUTEP-UHFFFAOYSA-N
XLogP2.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
[2-Pyridazin-4-yl-4-(trifluoromethyl)phenyl]methanol;3-[3-(trifluoromethyl)phenyl]pyridazine
CID 88926463
(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol
CID 148680815
(1Z)-N-pyridazin-1-ium-1-yl-4-(trifluoromethyl)benzenecarboximidate
CID 166006217
(1Z)-N-pyridazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzenecarboximidate
CID 166006297
N-pyridazin-1-ium-1-yl-4-(trifluoromethyl)benzenecarboximidate
CID 167616904
N-pyridazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzenecarboximidate
CID 167653154
[2,4-Bis(trifluoromethyl)phenyl]-(1-iodophosphanylpyrazol-3-yl)methanol;ethane
CID 169154140
3-Methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol
CID 176652816

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol (CID 102759181) is [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol is Cc1cc(C(F)(F)F)ccc1C(O)c1ccnnc1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol?
The InChIKey is GSERPKLZNNUTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-6-10(13(14,15)16)2-3-11(8)12(19)9-4-5-17-18-7-9/h2-7,12,19H,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol?
[2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol has a molecular weight of 268.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol is sourced from PubChem (CID 102759181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).