(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol

C10H10N2O2S — CID 103373524

IUPAC(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol
SMILESCOc1ccc(C(O)c2cccs2)nn1
InChIInChI=1S/C10H10N2O2S/c1-14-9-5-4-7(11-12-9)10(13)8-3-2-6-15-8/h2-6,10,13H,1H3
InChIKeyGTJLXOKUAPXZPQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.63
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol

(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol (PubChem CID 103373524) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol
PubChem CID103373524
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol
SMILESCOc1ccc(C(O)c2cccs2)nn1
InChIInChI=1S/C10H10N2O2S/c1-14-9-5-4-7(11-12-9)10(13)8-3-2-6-15-8/h2-6,10,13H,1H3
InChIKeyGTJLXOKUAPXZPQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol (CID 103373524) is (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol is COc1ccc(C(O)c2cccs2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol?
The InChIKey is GTJLXOKUAPXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-9-5-4-7(11-12-9)10(13)8-3-2-6-15-8/h2-6,10,13H,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol?
(6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol has a molecular weight of 222.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 103373524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).