2-amino-3-chlorobenzonitrile

C7H5ClN2 — CID 12627363

IUPAC2-amino-3-chlorobenzonitrile
SMILESN#Cc1cccc(Cl)c1N
InChIInChI=1S/C7H5ClN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKeyFAHVRFGAGJMXHW-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.79
Rot. Bonds

About 2-amino-3-chlorobenzonitrile

2-amino-3-chlorobenzonitrile (PubChem CID 12627363) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-amino-3-chlorobenzonitrile.

Molecular Properties

Compound Name2-amino-3-chlorobenzonitrile
PubChem CID12627363
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-amino-3-chlorobenzonitrile
SMILESN#Cc1cccc(Cl)c1N
InChIInChI=1S/C7H5ClN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKeyFAHVRFGAGJMXHW-UHFFFAOYSA-N
XLogP1.79
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-chlorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chlorobenzonitrile?
The IUPAC name of 2-amino-3-chlorobenzonitrile (CID 12627363) is 2-amino-3-chlorobenzonitrile.
What is the SMILES notation for 2-amino-3-chlorobenzonitrile?
The canonical SMILES for 2-amino-3-chlorobenzonitrile is N#Cc1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chlorobenzonitrile?
The InChIKey is FAHVRFGAGJMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2.
What are the key properties of 2-amino-3-chlorobenzonitrile?
2-amino-3-chlorobenzonitrile has a molecular weight of 152.58 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chlorobenzonitrile is sourced from PubChem (CID 12627363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).