3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine

C11H12Cl2N2 — CID 143419130

IUPAC3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1C(=C\C)/C=C/CCl
InChIInChI=1S/C11H12Cl2N2/c1-3-10(5-4-8-12)15-9(2)6-7-11(13)14-15/h3-7H,2,8H2,1H3/b5-4+,10-3-
InChIKeyLWIHHKNSRCUITC-IMXHIACISA-N
MW243.14 g/mol
LogP3.62
Rot. Bonds3

About 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine

3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine (PubChem CID 143419130) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine.

Molecular Properties

Compound Name3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine
PubChem CID143419130
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1C(=C\C)/C=C/CCl
InChIInChI=1S/C11H12Cl2N2/c1-3-10(5-4-8-12)15-9(2)6-7-11(13)14-15/h3-7H,2,8H2,1H3/b5-4+,10-3-
InChIKeyLWIHHKNSRCUITC-IMXHIACISA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine?
The IUPAC name of 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine (CID 143419130) is 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine.
What is the SMILES notation for 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine?
The canonical SMILES for 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine is C=C1C=CC(Cl)=NN1C(=C\C)/C=C/CCl.
What is the InChIKey of 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine?
The InChIKey is LWIHHKNSRCUITC-IMXHIACISA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-3-10(5-4-8-12)15-9(2)6-7-11(13)14-15/h3-7H,2,8H2,1H3/b5-4+,10-3-.
What are the key properties of 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine?
3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine has a molecular weight of 243.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine is sourced from PubChem (CID 143419130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).