1-(6-chloro-5-methylpyridazin-3-yl)ethanol

C7H9ClN2O — CID 162520174

IUPAC1-(6-chloro-5-methylpyridazin-3-yl)ethanol
SMILESCc1cc(C(C)O)nnc1Cl
InChIInChI=1S/C7H9ClN2O/c1-4-3-6(5(2)11)9-10-7(4)8/h3,5,11H,1-2H3
InChIKeyFHSPRZJGYXHZLT-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.49
Rot. Bonds1

About 1-(6-chloro-5-methylpyridazin-3-yl)ethanol

1-(6-chloro-5-methylpyridazin-3-yl)ethanol (PubChem CID 162520174) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 1-(6-chloro-5-methylpyridazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-5-methylpyridazin-3-yl)ethanol
PubChem CID162520174
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name1-(6-chloro-5-methylpyridazin-3-yl)ethanol
SMILESCc1cc(C(C)O)nnc1Cl
InChIInChI=1S/C7H9ClN2O/c1-4-3-6(5(2)11)9-10-7(4)8/h3,5,11H,1-2H3
InChIKeyFHSPRZJGYXHZLT-UHFFFAOYSA-N
XLogP1.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methylpyridazin-3-yl)ethanol?
The IUPAC name of 1-(6-chloro-5-methylpyridazin-3-yl)ethanol (CID 162520174) is 1-(6-chloro-5-methylpyridazin-3-yl)ethanol.
What is the SMILES notation for 1-(6-chloro-5-methylpyridazin-3-yl)ethanol?
The canonical SMILES for 1-(6-chloro-5-methylpyridazin-3-yl)ethanol is Cc1cc(C(C)O)nnc1Cl.
What is the InChIKey of 1-(6-chloro-5-methylpyridazin-3-yl)ethanol?
The InChIKey is FHSPRZJGYXHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-3-6(5(2)11)9-10-7(4)8/h3,5,11H,1-2H3.
What are the key properties of 1-(6-chloro-5-methylpyridazin-3-yl)ethanol?
1-(6-chloro-5-methylpyridazin-3-yl)ethanol has a molecular weight of 172.61 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methylpyridazin-3-yl)ethanol is sourced from PubChem (CID 162520174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).