3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine

C8H8Cl2N2 — CID 89088582

IUPAC3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1/C=C(\C)Cl
InChIInChI=1S/C8H8Cl2N2/c1-6(9)5-12-7(2)3-4-8(10)11-12/h3-5H,2H2,1H3/b6-5+
InChIKeyBIABOXUDIDFHLO-AATRIKPKSA-N
MW203.07 g/mol
LogP3.02
Rot. Bonds1

About 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine

3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine (PubChem CID 89088582) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine.

Molecular Properties

Compound Name3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine
PubChem CID89088582
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1/C=C(\C)Cl
InChIInChI=1S/C8H8Cl2N2/c1-6(9)5-12-7(2)3-4-8(10)11-12/h3-5H,2H2,1H3/b6-5+
InChIKeyBIABOXUDIDFHLO-AATRIKPKSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine?
The IUPAC name of 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine (CID 89088582) is 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine.
What is the SMILES notation for 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine?
The canonical SMILES for 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine is C=C1C=CC(Cl)=NN1/C=C(\C)Cl.
What is the InChIKey of 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine?
The InChIKey is BIABOXUDIDFHLO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-6(9)5-12-7(2)3-4-8(10)11-12/h3-5H,2H2,1H3/b6-5+.
What are the key properties of 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine?
3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine has a molecular weight of 203.07 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(E)-2-chloroprop-1-enyl]-6-methylidenepyridazine is sourced from PubChem (CID 89088582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).