5-amino-2-chlorobenzonitrile

C7H5ClN2 — CID 10997234

IUPAC5-amino-2-chlorobenzonitrile
SMILESN#Cc1cc(N)ccc1Cl
InChIInChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
InChIKeyVVDIMAMYKUTSCL-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.79
Rot. Bonds

About 5-amino-2-chlorobenzonitrile

5-amino-2-chlorobenzonitrile (PubChem CID 10997234) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 5-amino-2-chlorobenzonitrile.

Molecular Properties

Compound Name5-amino-2-chlorobenzonitrile
PubChem CID10997234
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name5-amino-2-chlorobenzonitrile
SMILESN#Cc1cc(N)ccc1Cl
InChIInChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
InChIKeyVVDIMAMYKUTSCL-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chlorobenzonitrile?
The IUPAC name of 5-amino-2-chlorobenzonitrile (CID 10997234) is 5-amino-2-chlorobenzonitrile.
What is the SMILES notation for 5-amino-2-chlorobenzonitrile?
The canonical SMILES for 5-amino-2-chlorobenzonitrile is N#Cc1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chlorobenzonitrile?
The InChIKey is VVDIMAMYKUTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2.
What are the key properties of 5-amino-2-chlorobenzonitrile?
5-amino-2-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 5-amino-2-chlorobenzonitrile is sourced from PubChem (CID 10997234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).