pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol

C12H9F3N2O2 — CID 105096572

IUPACpyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccnnc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)19-10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7,11,18H
InChIKeyVZOCGJYXKRBFMC-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.46
Rot. Bonds3

About pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol

pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 105096572) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Namepyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID105096572
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Namepyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccnnc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)19-10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7,11,18H
InChIKeyVZOCGJYXKRBFMC-UHFFFAOYSA-N
XLogP2.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 107105027

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol (CID 105096572) is pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol is OC(c1ccnnc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is VZOCGJYXKRBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)19-10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7,11,18H.
What are the key properties of pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol?
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 270.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 105096572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).