(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C14H13F3N2O2 — CID 103373443

IUPAC(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2ccc(C(F)(F)F)cc2C)nn1
InChIInChI=1S/C14H13F3N2O2/c1-8-7-9(14(15,16)17)3-4-10(8)13(20)11-5-6-12(21-2)19-18-11/h3-7,13,20H,1-2H3
InChIKeyZQUMYXWVKMWQIA-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.89
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 103373443) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID103373443
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2ccc(C(F)(F)F)cc2C)nn1
InChIInChI=1S/C14H13F3N2O2/c1-8-7-9(14(15,16)17)3-4-10(8)13(20)11-5-6-12(21-2)19-18-11/h3-7,13,20H,1-2H3
InChIKeyZQUMYXWVKMWQIA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373534
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
CID 105103565
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(2-chlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373672
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
4-methoxy-2-methyl-6-[1-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]triazol-4-yl]pyrimidine
CID 122539164
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 103373443) is (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is COc1ccc(C(O)c2ccc(C(F)(F)F)cc2C)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZQUMYXWVKMWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-7-9(14(15,16)17)3-4-10(8)13(20)11-5-6-12(21-2)19-18-11/h3-7,13,20H,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 298.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 103373443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).