2,6-dichloro-4-nitroaniline;molecular chlorine

C6H4Cl4N2O2 — CID 20849384

IUPAC2,6-dichloro-4-nitroaniline;molecular chlorine
SMILESClCl.Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H4Cl2N2O2.Cl2/c7-4-1-3(10(11)12)2-5(8)6(4)9;1-2/h1-2H,9H2;
InChIKeyWYFBFQVQWJOPHB-UHFFFAOYSA-N
MW277.92 g/mol
LogP3.86
Rot. Bonds1

About 2,6-dichloro-4-nitroaniline;molecular chlorine

2,6-dichloro-4-nitroaniline;molecular chlorine (PubChem CID 20849384) has the molecular formula C6H4Cl4N2O2 and a molecular weight of 277.92 g/mol. Its IUPAC name is 2,6-dichloro-4-nitroaniline;molecular chlorine.

Molecular Properties

Compound Name2,6-dichloro-4-nitroaniline;molecular chlorine
PubChem CID20849384
Molecular FormulaC6H4Cl4N2O2
Molecular Weight277.92 g/mol
Exact Mass275.90
IUPAC Name2,6-dichloro-4-nitroaniline;molecular chlorine
SMILESClCl.Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H4Cl2N2O2.Cl2/c7-4-1-3(10(11)12)2-5(8)6(4)9;1-2/h1-2H,9H2;
InChIKeyWYFBFQVQWJOPHB-UHFFFAOYSA-N
XLogP3.86
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-nitroaniline;molecular chlorine with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-chloro-5-nitrobenzonitrile;hydrochloride
CID 158520022
2-amino-3-chloro-5-nitrobenzenesulfonyl fluoride
CID 131358722
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
4,6-dichloro-2-nitrobenzene-1,3-diamine
CID 131861506
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-6-chloro-4-nitrobenzoic acid
CID 130744203
2-amino-6-chloro-4-nitrobenzonitrile
CID 171015340
3-chloro-4,5-difluoroaniline;1-chloro-2,3-difluoro-5-nitrobenzene
CID 159546994
3,4,6-trichloro-2-nitroaniline
CID 3397577
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-nitroaniline;molecular chlorine?
The IUPAC name of 2,6-dichloro-4-nitroaniline;molecular chlorine (CID 20849384) is 2,6-dichloro-4-nitroaniline;molecular chlorine.
What is the SMILES notation for 2,6-dichloro-4-nitroaniline;molecular chlorine?
The canonical SMILES for 2,6-dichloro-4-nitroaniline;molecular chlorine is ClCl.Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,6-dichloro-4-nitroaniline;molecular chlorine?
The InChIKey is WYFBFQVQWJOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2.Cl2/c7-4-1-3(10(11)12)2-5(8)6(4)9;1-2/h1-2H,9H2;.
What are the key properties of 2,6-dichloro-4-nitroaniline;molecular chlorine?
2,6-dichloro-4-nitroaniline;molecular chlorine has a molecular weight of 277.92 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-nitroaniline;molecular chlorine is sourced from PubChem (CID 20849384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).