2,6-dichlorobenzene-1,4-diamine

C6H6Cl2N2 — CID 11860

IUPAC2,6-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKeyHQCHAOKWWKLXQH-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.16
Rot. Bonds

About 2,6-dichlorobenzene-1,4-diamine

2,6-dichlorobenzene-1,4-diamine (PubChem CID 11860) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,6-dichlorobenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichlorobenzene-1,4-diamine
PubChem CID11860
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,6-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKeyHQCHAOKWWKLXQH-UHFFFAOYSA-N
XLogP2.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dichloro-4-nitroaniline
CID 7430
2-Chloroaniline
CID 7240
2-Chloro-4-nitroaniline
CID 8492
3,5-Dichloroaniline
CID 12281
2,5-Dichloroaniline
CID 7262
3-Chloroaniline
CID 7932
2,3-Dichloroaniline
CID 11844
2,4-Dichloroaniline
CID 11123
2,4,6-Trichloroaniline
CID 12471
2-Chloro-p-phenylenediamine sulfate
CID 22584
4-Chloroaniline hydrochloride
CID 5284363
2,5-Dichloro-1,4-benzenediamine
CID 29949

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzene-1,4-diamine?
The IUPAC name of 2,6-dichlorobenzene-1,4-diamine (CID 11860) is 2,6-dichlorobenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichlorobenzene-1,4-diamine?
The canonical SMILES for 2,6-dichlorobenzene-1,4-diamine is Nc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichlorobenzene-1,4-diamine?
The InChIKey is HQCHAOKWWKLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2.
What are the key properties of 2,6-dichlorobenzene-1,4-diamine?
2,6-dichlorobenzene-1,4-diamine has a molecular weight of 177.03 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzene-1,4-diamine is sourced from PubChem (CID 11860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).