3-(1-chloroethyl)pyridazine;hydrochloride

C6H8Cl2N2 — CID 155973825

IUPAC3-(1-chloroethyl)pyridazine;hydrochloride
SMILESCC(Cl)c1cccnn1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5(7)6-3-2-4-8-9-6;/h2-5H,1H3;1H
InChIKeyNLBJDBUAEYDMIV-UHFFFAOYSA-N
MW179.05 g/mol
LogP2.20
Rot. Bonds1

About 3-(1-chloroethyl)pyridazine;hydrochloride

3-(1-chloroethyl)pyridazine;hydrochloride (PubChem CID 155973825) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 3-(1-chloroethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-(1-chloroethyl)pyridazine;hydrochloride
PubChem CID155973825
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name3-(1-chloroethyl)pyridazine;hydrochloride
SMILESCC(Cl)c1cccnn1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5(7)6-3-2-4-8-9-6;/h2-5H,1H3;1H
InChIKeyNLBJDBUAEYDMIV-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)pyridazine;hydrochloride?
The IUPAC name of 3-(1-chloroethyl)pyridazine;hydrochloride (CID 155973825) is 3-(1-chloroethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-(1-chloroethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-(1-chloroethyl)pyridazine;hydrochloride is CC(Cl)c1cccnn1.Cl.
What is the InChIKey of 3-(1-chloroethyl)pyridazine;hydrochloride?
The InChIKey is NLBJDBUAEYDMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.ClH/c1-5(7)6-3-2-4-8-9-6;/h2-5H,1H3;1H.
What are the key properties of 3-(1-chloroethyl)pyridazine;hydrochloride?
3-(1-chloroethyl)pyridazine;hydrochloride has a molecular weight of 179.05 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)pyridazine;hydrochloride is sourced from PubChem (CID 155973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).