2-amino-3,5-dibromobenzonitrile

C7H4Br2N2 — CID 2734082

IUPAC2-amino-3,5-dibromobenzonitrile
SMILESN#Cc1cc(Br)cc(Br)c1N
InChIInChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKeyWLZCMGXAEXFAQA-UHFFFAOYSA-N
MW275.93 g/mol
LogP2.67
Rot. Bonds

About 2-amino-3,5-dibromobenzonitrile

2-amino-3,5-dibromobenzonitrile (PubChem CID 2734082) has the molecular formula C7H4Br2N2 and a molecular weight of 275.93 g/mol. Its IUPAC name is 2-amino-3,5-dibromobenzonitrile.

Molecular Properties

Compound Name2-amino-3,5-dibromobenzonitrile
PubChem CID2734082
Molecular FormulaC7H4Br2N2
Molecular Weight275.93 g/mol
Exact Mass273.87
IUPAC Name2-amino-3,5-dibromobenzonitrile
SMILESN#Cc1cc(Br)cc(Br)c1N
InChIInChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKeyWLZCMGXAEXFAQA-UHFFFAOYSA-N
XLogP2.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.93
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromobenzonitrile?
The IUPAC name of 2-amino-3,5-dibromobenzonitrile (CID 2734082) is 2-amino-3,5-dibromobenzonitrile.
What is the SMILES notation for 2-amino-3,5-dibromobenzonitrile?
The canonical SMILES for 2-amino-3,5-dibromobenzonitrile is N#Cc1cc(Br)cc(Br)c1N.
What is the InChIKey of 2-amino-3,5-dibromobenzonitrile?
The InChIKey is WLZCMGXAEXFAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2.
What are the key properties of 2-amino-3,5-dibromobenzonitrile?
2-amino-3,5-dibromobenzonitrile has a molecular weight of 275.93 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromobenzonitrile is sourced from PubChem (CID 2734082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).