4-amino-3,5-dichlorobenzonitrile

C7H4Cl2N2 — CID 522706

IUPAC4-amino-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKeyCOFNCCWGWXFACE-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.45
Rot. Bonds

About 4-amino-3,5-dichlorobenzonitrile

4-amino-3,5-dichlorobenzonitrile (PubChem CID 522706) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 4-amino-3,5-dichlorobenzonitrile.

Molecular Properties

Compound Name4-amino-3,5-dichlorobenzonitrile
PubChem CID522706
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name4-amino-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKeyCOFNCCWGWXFACE-UHFFFAOYSA-N
XLogP2.45
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-chlorobenzonitrile
CID 80019
3-Amino-4-chlorobenzonitrile
CID 104464
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
Benzenamine, 4,4'-methylenebis(2,6-dichloro-
CID 117516
2-(4-Amino-3-chlorophenyl)acetonitrile
CID 18621878
4-Amino-2-chlorobenzonitrile
CID 88728
4-Amino-3-chlorobenzonitrile
CID 519896
Benzidine, 3,3',5,5'-tetrachloro-
CID 148423
2-Amino-3-chlorobenzonitrile
CID 12627363
2-Amino-3,5-dichlorobenzonitrile
CID 737215
2,4-Dichloro-6-methylaniline
CID 1268287
4-Amino-3-chloro-5-methylbenzonitrile
CID 2735301

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichlorobenzonitrile?
The IUPAC name of 4-amino-3,5-dichlorobenzonitrile (CID 522706) is 4-amino-3,5-dichlorobenzonitrile.
What is the SMILES notation for 4-amino-3,5-dichlorobenzonitrile?
The canonical SMILES for 4-amino-3,5-dichlorobenzonitrile is N#Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichlorobenzonitrile?
The InChIKey is COFNCCWGWXFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2.
What are the key properties of 4-amino-3,5-dichlorobenzonitrile?
4-amino-3,5-dichlorobenzonitrile has a molecular weight of 187.03 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichlorobenzonitrile is sourced from PubChem (CID 522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).