(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

C14H13F3N2O2 — CID 105096591

IUPAC(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1
InChIInChI=1S/C14H13F3N2O2/c1-8-6-12(9(2)19-18-8)13(20)10-4-3-5-11(7-10)21-14(15,16)17/h3-7,13,20H,1-2H3
InChIKeyJSAPKVAJYQADJP-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.07
Rot. Bonds3

About (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 105096591) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID105096591
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1
InChIInChI=1S/C14H13F3N2O2/c1-8-6-12(9(2)19-18-8)13(20)10-4-3-5-11(7-10)21-14(15,16)17/h3-7,13,20H,1-2H3
InChIKeyJSAPKVAJYQADJP-UHFFFAOYSA-N
XLogP3.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (CID 105096591) is (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is Cc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is JSAPKVAJYQADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-6-12(9(2)19-18-8)13(20)10-4-3-5-11(7-10)21-14(15,16)17/h3-7,13,20H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 298.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 105096591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).