2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine

C7H5Br2N — CID 135887811

IUPAC2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C(Br)=CC(=C)C=C1Br
InChIInChI=1S/C7H5Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H2
InChIKeySGVBMAIUVWXMMZ-UHFFFAOYSA-N
MW262.93 g/mol
LogP3.13
Rot. Bonds

About 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine

2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine (PubChem CID 135887811) has the molecular formula C7H5Br2N and a molecular weight of 262.93 g/mol. Its IUPAC name is 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine
PubChem CID135887811
Molecular FormulaC7H5Br2N
Molecular Weight262.93 g/mol
Exact Mass260.88
IUPAC Name2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C(Br)=CC(=C)C=C1Br
InChIInChI=1S/C7H5Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H2
InChIKeySGVBMAIUVWXMMZ-UHFFFAOYSA-N
XLogP3.13
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.93
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine (CID 135887811) is 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine is [H]N=C1C(Br)=CC(=C)C=C1Br.
What is the InChIKey of 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is SGVBMAIUVWXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H2.
What are the key properties of 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine?
2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 262.93 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 135887811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).