2-(2-amino-5-chloroanilino)benzonitrile

C13H10ClN3 — CID 113315594

IUPAC2-(2-amino-5-chloroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H10ClN3/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2
InChIKeyREDZLVUIIOZUGP-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.54
Rot. Bonds2

About 2-(2-amino-5-chloroanilino)benzonitrile

2-(2-amino-5-chloroanilino)benzonitrile (PubChem CID 113315594) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(2-amino-5-chloroanilino)benzonitrile.

Molecular Properties

Compound Name2-(2-amino-5-chloroanilino)benzonitrile
PubChem CID113315594
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-(2-amino-5-chloroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H10ClN3/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2
InChIKeyREDZLVUIIOZUGP-UHFFFAOYSA-N
XLogP3.54
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-(2-bromo-4-chloroanilino)benzonitrile
CID 81271318
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-(2-amino-4-bromo-5-fluoroanilino)benzonitrile
CID 66110305
3-(2-amino-5-chloroanilino)-4-chlorobenzonitrile
CID 113315838
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
CID 115469018
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloroanilino)benzonitrile?
The IUPAC name of 2-(2-amino-5-chloroanilino)benzonitrile (CID 113315594) is 2-(2-amino-5-chloroanilino)benzonitrile.
What is the SMILES notation for 2-(2-amino-5-chloroanilino)benzonitrile?
The canonical SMILES for 2-(2-amino-5-chloroanilino)benzonitrile is N#Cc1ccccc1Nc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloroanilino)benzonitrile?
The InChIKey is REDZLVUIIOZUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2.
What are the key properties of 2-(2-amino-5-chloroanilino)benzonitrile?
2-(2-amino-5-chloroanilino)benzonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloroanilino)benzonitrile is sourced from PubChem (CID 113315594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).