1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol

C14H12N2O2S — CID 103373409

IUPAC1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cccc3ccsc23)nn1
InChIInChI=1S/C14H12N2O2S/c1-18-12-6-5-11(15-16-12)13(17)10-4-2-3-9-7-8-19-14(9)10/h2-8,13,17H,1H3
InChIKeyOYOURAVAMHJOBT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.78
Rot. Bonds3

About 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol

1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol (PubChem CID 103373409) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol
PubChem CID103373409
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cccc3ccsc23)nn1
InChIInChI=1S/C14H12N2O2S/c1-18-12-6-5-11(15-16-12)13(17)10-4-2-3-9-7-8-19-14(9)10/h2-8,13,17H,1H3
InChIKeyOYOURAVAMHJOBT-UHFFFAOYSA-N
XLogP2.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
CID 46944763
3-[6-(2-Fluoroethoxy)-1-benzothiophen-2-yl]-6-methoxypyridazine
CID 46944765
3-[6-(3-Fluoropropoxy)-1-benzothiophen-2-yl]-6-methoxypyridazine
CID 46944769
3-Methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine
CID 59536222
3-(6-Butoxy-1-benzothiophen-2-yl)-6-methoxypyridazine
CID 59536230
1-Benzothiophen-7-yl-(6-methoxy-2-pyridinyl)methanol
CID 103347973
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
(6-Methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103373441
2-(5-Ethylthiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373458
1-(6-Methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
CID 103373460
(4-Bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methanol
CID 103373498
(6-Methoxypyridazin-3-yl)-thiophen-2-ylmethanol
CID 103373524

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol (CID 103373409) is 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cccc3ccsc23)nn1.
What is the InChIKey of 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is OYOURAVAMHJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-12-6-5-11(15-16-12)13(17)10-4-2-3-9-7-8-19-14(9)10/h2-8,13,17H,1H3.
What are the key properties of 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol?
1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 272.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 103373409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).