2,6-dichloro-4-nitroaniline

C6H4Cl2N2O2 — CID 7430

IUPAC2,6-dichloro-4-nitroaniline
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKeyBIXZHMJUSMUDOQ-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.48
Rot. Bonds1

About 2,6-dichloro-4-nitroaniline

2,6-dichloro-4-nitroaniline (PubChem CID 7430) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 2,6-dichloro-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-4-nitroaniline
PubChem CID7430
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name2,6-dichloro-4-nitroaniline
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKeyBIXZHMJUSMUDOQ-UHFFFAOYSA-N
XLogP2.48
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.48
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'}

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Related Compounds

1-Chloro-2-nitrobenzene
CID 6945
2-Chloro-4-nitroaniline
CID 8492
1-Chloro-3-nitrobenzene
CID 8489
4-Chloro-3-nitroaniline
CID 12477
2,3-Dichloronitrobenzene
CID 18555
2,6-Dichloro-1,4-benzenediamine
CID 11860
2,5-Dichloronitrobenzene
CID 6977
2,4-Dichloronitrobenzene
CID 11899
2,4,5-Trichloronitrobenzene
CID 6983
2-Chloro-5-nitroaniline
CID 22691
2,3,4-Trichloronitrobenzene
CID 28697
3,4,5-Trichloronitrobenzene
CID 88365

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-nitroaniline?
The IUPAC name of 2,6-dichloro-4-nitroaniline (CID 7430) is 2,6-dichloro-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-4-nitroaniline is Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,6-dichloro-4-nitroaniline?
The InChIKey is BIXZHMJUSMUDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2.
What are the key properties of 2,6-dichloro-4-nitroaniline?
2,6-dichloro-4-nitroaniline has a molecular weight of 207.02 g/mol, XLogP of 2.48, 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 is sourced from PubChem (CID 7430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).