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

C13H11F3N2O2 — CID 103373462

IUPAC(6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N2O2/c1-20-11-7-6-10(17-18-11)12(19)8-4-2-3-5-9(8)13(14,15)16/h2-7,12,19H,1H3
InChIKeyBUYCXKPVUTZVRO-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.59
Rot. Bonds3

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

(6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 103373462) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID103373462
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N2O2/c1-20-11-7-6-10(17-18-11)12(19)8-4-2-3-5-9(8)13(14,15)16/h2-7,12,19H,1H3
InChIKeyBUYCXKPVUTZVRO-UHFFFAOYSA-N
XLogP2.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Fluorophenyl)methyl]-6-methoxypyridazine
CID 45276200
[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[2-Fluoro-5-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 56708792
2-(6-Methoxypyridazin-3-YL)-4-(trifluoromethoxy)phenol
CID 137150764
3-(Difluoromethoxy)-6-(4-pentylphenyl)pyridazine
CID 6412190
3-[4-(Trifluoromethyl)phenyl]-6-methoxypyridazine
CID 16743327
(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 22631078
1,1,1-Trifluoro-3-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-ol
CID 22913439
3-(4-Methoxy-2-trifluoromethyl-phenyl)-6-methyl-pyridazine
CID 68892982
[4-[3-[6-(4-Fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol
CID 69106291
(Z)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 69918044

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 103373462) is (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol is COc1ccc(C(O)c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is BUYCXKPVUTZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-11-7-6-10(17-18-11)12(19)8-4-2-3-5-9(8)13(14,15)16/h2-7,12,19H,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
(6-methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 284.24 g/mol, XLogP of 2.59, 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-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 103373462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).