2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

C13H13BrN2O2 — CID 103373634

IUPAC2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)nn1
InChIInChI=1S/C13H13BrN2O2/c1-18-13-7-6-11(15-16-13)12(17)8-9-4-2-3-5-10(9)14/h2-7,12,17H,8H2,1H3
InChIKeyAKWMHFWPSYCTPP-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373634) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373634
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)nn1
InChIInChI=1S/C13H13BrN2O2/c1-18-13-7-6-11(15-16-13)12(17)8-9-4-2-3-5-10(9)14/h2-7,12,17H,8H2,1H3
InChIKeyAKWMHFWPSYCTPP-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
(3-Bromo-4-fluorophenyl)-(6-difluoromethoxypyridazin-3-yl)methanol
CID 117696688
[6-(Difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
CID 123305103
(5-Bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 155673924
1-(6-Methoxypyridazin-3-yl)hexan-1-ol
CID 15889675
6-[(2-Bromo-4-fluorophenyl)methoxy]-3,4-dimethylpyridazine
CID 60272570
[6-[(2-Fluorophenyl)methoxy]pyridazin-3-yl]methanol
CID 63937572
2-(2,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373403
2-(4-Chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373422
2-(3,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373423
(5-Bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373427

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373634) is 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2ccccc2Br)nn1.
What is the InChIKey of 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is AKWMHFWPSYCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-18-13-7-6-11(15-16-13)12(17)8-9-4-2-3-5-10(9)14/h2-7,12,17H,8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 309.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).