3-chloro-6-iodobenzene-1,2-diamine

C6H6ClIN2 — CID 98041765

IUPAC3-chloro-6-iodobenzene-1,2-diamine
SMILESNc1c(Cl)ccc(I)c1N
InChIInChI=1S/C6H6ClIN2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2
InChIKeyUFVIHRCNGNNHFD-UHFFFAOYSA-N
MW268.48 g/mol
LogP2.11
Rot. Bonds

About 3-chloro-6-iodobenzene-1,2-diamine

3-chloro-6-iodobenzene-1,2-diamine (PubChem CID 98041765) has the molecular formula C6H6ClIN2 and a molecular weight of 268.48 g/mol. Its IUPAC name is 3-chloro-6-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-6-iodobenzene-1,2-diamine
PubChem CID98041765
Molecular FormulaC6H6ClIN2
Molecular Weight268.48 g/mol
Exact Mass267.93
IUPAC Name3-chloro-6-iodobenzene-1,2-diamine
SMILESNc1c(Cl)ccc(I)c1N
InChIInChI=1S/C6H6ClIN2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2
InChIKeyUFVIHRCNGNNHFD-UHFFFAOYSA-N
XLogP2.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-iodobenzene-1,2-diamine?
The IUPAC name of 3-chloro-6-iodobenzene-1,2-diamine (CID 98041765) is 3-chloro-6-iodobenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-6-iodobenzene-1,2-diamine?
The canonical SMILES for 3-chloro-6-iodobenzene-1,2-diamine is Nc1c(Cl)ccc(I)c1N.
What is the InChIKey of 3-chloro-6-iodobenzene-1,2-diamine?
The InChIKey is UFVIHRCNGNNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2.
What are the key properties of 3-chloro-6-iodobenzene-1,2-diamine?
3-chloro-6-iodobenzene-1,2-diamine has a molecular weight of 268.48 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-iodobenzene-1,2-diamine is sourced from PubChem (CID 98041765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).