4-[(E)-2-chloroethenyl]pyridazine

C6H5ClN2 — CID 142782004

IUPAC4-[(E)-2-chloroethenyl]pyridazine
SMILESCl/C=C/c1ccnnc1
InChIInChI=1S/C6H5ClN2/c7-3-1-6-2-4-8-9-5-6/h1-5H/b3-1+
InChIKeySUKSQKGXTDGWJA-HNQUOIGGSA-N
MW140.57 g/mol
LogP1.69
Rot. Bonds1

About 4-[(E)-2-chloroethenyl]pyridazine

4-[(E)-2-chloroethenyl]pyridazine (PubChem CID 142782004) has the molecular formula C6H5ClN2 and a molecular weight of 140.57 g/mol. Its IUPAC name is 4-[(E)-2-chloroethenyl]pyridazine.

Molecular Properties

Compound Name4-[(E)-2-chloroethenyl]pyridazine
PubChem CID142782004
Molecular FormulaC6H5ClN2
Molecular Weight140.57 g/mol
Exact Mass140.01
IUPAC Name4-[(E)-2-chloroethenyl]pyridazine
SMILESCl/C=C/c1ccnnc1
InChIInChI=1S/C6H5ClN2/c7-3-1-6-2-4-8-9-5-6/h1-5H/b3-1+
InChIKeySUKSQKGXTDGWJA-HNQUOIGGSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-chloroethenyl]pyridazine?
The IUPAC name of 4-[(E)-2-chloroethenyl]pyridazine (CID 142782004) is 4-[(E)-2-chloroethenyl]pyridazine.
What is the SMILES notation for 4-[(E)-2-chloroethenyl]pyridazine?
The canonical SMILES for 4-[(E)-2-chloroethenyl]pyridazine is Cl/C=C/c1ccnnc1.
What is the InChIKey of 4-[(E)-2-chloroethenyl]pyridazine?
The InChIKey is SUKSQKGXTDGWJA-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H5ClN2/c7-3-1-6-2-4-8-9-5-6/h1-5H/b3-1+.
What are the key properties of 4-[(E)-2-chloroethenyl]pyridazine?
4-[(E)-2-chloroethenyl]pyridazine has a molecular weight of 140.57 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-chloroethenyl]pyridazine is sourced from PubChem (CID 142782004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).