5-chloro-2-(2,4-dichlorophenyl)aniline

C12H8Cl3N — CID 70539769

IUPAC5-chloro-2-(2,4-dichlorophenyl)aniline
SMILESNc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,16H2
InChIKeyVQHOFHBGJMRYAN-UHFFFAOYSA-N
MW272.56 g/mol
LogP4.90
Rot. Bonds1

About 5-chloro-2-(2,4-dichlorophenyl)aniline

5-chloro-2-(2,4-dichlorophenyl)aniline (PubChem CID 70539769) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenyl)aniline
PubChem CID70539769
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name5-chloro-2-(2,4-dichlorophenyl)aniline
SMILESNc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,16H2
InChIKeyVQHOFHBGJMRYAN-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
CID 81274932
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
CID 130088720
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
2,6-dichloro-3-(2,4-dichlorophenyl)pyridine
CID 133088201
5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
CID 81274762
5-chloro-2-(1,3-thiazol-4-yl)aniline
CID 130774740
2,4-dichloroaniline;molecular nitrogen
CID 69010854
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)aniline?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)aniline (CID 70539769) is 5-chloro-2-(2,4-dichlorophenyl)aniline.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenyl)aniline?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenyl)aniline is Nc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenyl)aniline?
The InChIKey is VQHOFHBGJMRYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,16H2.
What are the key properties of 5-chloro-2-(2,4-dichlorophenyl)aniline?
5-chloro-2-(2,4-dichlorophenyl)aniline has a molecular weight of 272.56 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenyl)aniline is sourced from PubChem (CID 70539769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).