1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine

C11H14BrClN2 — CID 146476114

IUPAC1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1/C(Br)=C\C(C)CC
InChIInChI=1S/C11H14BrClN2/c1-4-8(2)7-10(12)15-9(3)5-6-11(13)14-15/h5-8H,3-4H2,1-2H3/b10-7-
InChIKeyQTNGVWXMJRJEHU-YFHOEESVSA-N
MW289.60 g/mol
LogP4.21
Rot. Bonds3

About 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine

1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine (PubChem CID 146476114) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine.

Molecular Properties

Compound Name1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine
PubChem CID146476114
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine
SMILESC=C1C=CC(Cl)=NN1/C(Br)=C\C(C)CC
InChIInChI=1S/C11H14BrClN2/c1-4-8(2)7-10(12)15-9(3)5-6-11(13)14-15/h5-8H,3-4H2,1-2H3/b10-7-
InChIKeyQTNGVWXMJRJEHU-YFHOEESVSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine?
The IUPAC name of 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine (CID 146476114) is 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine.
What is the SMILES notation for 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine?
The canonical SMILES for 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine is C=C1C=CC(Cl)=NN1/C(Br)=C\C(C)CC.
What is the InChIKey of 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine?
The InChIKey is QTNGVWXMJRJEHU-YFHOEESVSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-4-8(2)7-10(12)15-9(3)5-6-11(13)14-15/h5-8H,3-4H2,1-2H3/b10-7-.
What are the key properties of 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine?
1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine has a molecular weight of 289.60 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine is sourced from PubChem (CID 146476114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).