2-amino-5-bromo-3-chlorobenzonitrile

C7H4BrClN2 — CID 26598311

IUPAC2-amino-5-bromo-3-chlorobenzonitrile
SMILESN#Cc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H4BrClN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKeyPRFFLKJJFFIYGK-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.56
Rot. Bonds

About 2-amino-5-bromo-3-chlorobenzonitrile

2-amino-5-bromo-3-chlorobenzonitrile (PubChem CID 26598311) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 2-amino-5-bromo-3-chlorobenzonitrile.

Molecular Properties

Compound Name2-amino-5-bromo-3-chlorobenzonitrile
PubChem CID26598311
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name2-amino-5-bromo-3-chlorobenzonitrile
SMILESN#Cc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H4BrClN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKeyPRFFLKJJFFIYGK-UHFFFAOYSA-N
XLogP2.56
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.56
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-5-bromo-3-chlorobenzonitrile?
The IUPAC name of 2-amino-5-bromo-3-chlorobenzonitrile (CID 26598311) is 2-amino-5-bromo-3-chlorobenzonitrile.
What is the SMILES notation for 2-amino-5-bromo-3-chlorobenzonitrile?
The canonical SMILES for 2-amino-5-bromo-3-chlorobenzonitrile is N#Cc1cc(Br)cc(Cl)c1N.
What is the InChIKey of 2-amino-5-bromo-3-chlorobenzonitrile?
The InChIKey is PRFFLKJJFFIYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2.
What are the key properties of 2-amino-5-bromo-3-chlorobenzonitrile?
2-amino-5-bromo-3-chlorobenzonitrile has a molecular weight of 231.48 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-chlorobenzonitrile is sourced from PubChem (CID 26598311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).