2,5-dichlorobenzene-1,4-diamine

C6H6Cl2N2 — CID 29949

IUPAC2,5-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
InChIKeyQAYVHDDEMLNVMO-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.16
Rot. Bonds

About 2,5-dichlorobenzene-1,4-diamine

2,5-dichlorobenzene-1,4-diamine (PubChem CID 29949) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,5-dichlorobenzene-1,4-diamine.

Molecular Properties

Compound Name2,5-dichlorobenzene-1,4-diamine
PubChem CID29949
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,5-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
InChIKeyQAYVHDDEMLNVMO-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorobenzene-1,4-diamine?
The IUPAC name of 2,5-dichlorobenzene-1,4-diamine (CID 29949) is 2,5-dichlorobenzene-1,4-diamine.
What is the SMILES notation for 2,5-dichlorobenzene-1,4-diamine?
The canonical SMILES for 2,5-dichlorobenzene-1,4-diamine is Nc1cc(Cl)c(N)cc1Cl.
What is the InChIKey of 2,5-dichlorobenzene-1,4-diamine?
The InChIKey is QAYVHDDEMLNVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2.
What are the key properties of 2,5-dichlorobenzene-1,4-diamine?
2,5-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 2,5-dichlorobenzene-1,4-diamine is sourced from PubChem (CID 29949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).