3-(1-chloroethyl)pyridazine

C6H7ClN2 — CID 58198036

IUPAC3-(1-chloroethyl)pyridazine
SMILESCC(Cl)c1cccnn1
InChIInChI=1S/C6H7ClN2/c1-5(7)6-3-2-4-8-9-6/h2-5H,1H3
InChIKeyYALXXMNDTSBYRX-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.78
Rot. Bonds1

About 3-(1-chloroethyl)pyridazine

3-(1-chloroethyl)pyridazine (PubChem CID 58198036) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 3-(1-chloroethyl)pyridazine.

Molecular Properties

Compound Name3-(1-chloroethyl)pyridazine
PubChem CID58198036
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name3-(1-chloroethyl)pyridazine
SMILESCC(Cl)c1cccnn1
InChIInChI=1S/C6H7ClN2/c1-5(7)6-3-2-4-8-9-6/h2-5H,1H3
InChIKeyYALXXMNDTSBYRX-UHFFFAOYSA-N
XLogP1.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.78
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?
The IUPAC name of 3-(1-chloroethyl)pyridazine (CID 58198036) is 3-(1-chloroethyl)pyridazine.
What is the SMILES notation for 3-(1-chloroethyl)pyridazine?
The canonical SMILES for 3-(1-chloroethyl)pyridazine is CC(Cl)c1cccnn1.
What is the InChIKey of 3-(1-chloroethyl)pyridazine?
The InChIKey is YALXXMNDTSBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-5(7)6-3-2-4-8-9-6/h2-5H,1H3.
What are the key properties of 3-(1-chloroethyl)pyridazine?
3-(1-chloroethyl)pyridazine has a molecular weight of 142.59 g/mol, XLogP of 1.78, 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 is sourced from PubChem (CID 58198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).