3,6-dibromo-7-iodoquinolin-2-amine

C9H5Br2IN2 — CID 171363911

IUPAC3,6-dibromo-7-iodoquinolin-2-amine
SMILESNc1nc2cc(I)c(Br)cc2cc1Br
InChIInChI=1S/C9H5Br2IN2/c10-5-1-4-2-6(11)9(13)14-8(4)3-7(5)12/h1-3H,(H2,13,14)
InChIKeyDJOWBDDSIXEKDO-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.95
Rot. Bonds

About 3,6-dibromo-7-iodoquinolin-2-amine

3,6-dibromo-7-iodoquinolin-2-amine (PubChem CID 171363911) has the molecular formula C9H5Br2IN2 and a molecular weight of 427.87 g/mol. Its IUPAC name is 3,6-dibromo-7-iodoquinolin-2-amine.

Molecular Properties

Compound Name3,6-dibromo-7-iodoquinolin-2-amine
PubChem CID171363911
Molecular FormulaC9H5Br2IN2
Molecular Weight427.87 g/mol
Exact Mass425.79
IUPAC Name3,6-dibromo-7-iodoquinolin-2-amine
SMILESNc1nc2cc(I)c(Br)cc2cc1Br
InChIInChI=1S/C9H5Br2IN2/c10-5-1-4-2-6(11)9(13)14-8(4)3-7(5)12/h1-3H,(H2,13,14)
InChIKeyDJOWBDDSIXEKDO-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dibromo-7-iodoquinolin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-7-iodoquinolin-2-amine?
The IUPAC name of 3,6-dibromo-7-iodoquinolin-2-amine (CID 171363911) is 3,6-dibromo-7-iodoquinolin-2-amine.
What is the SMILES notation for 3,6-dibromo-7-iodoquinolin-2-amine?
The canonical SMILES for 3,6-dibromo-7-iodoquinolin-2-amine is Nc1nc2cc(I)c(Br)cc2cc1Br.
What is the InChIKey of 3,6-dibromo-7-iodoquinolin-2-amine?
The InChIKey is DJOWBDDSIXEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2IN2/c10-5-1-4-2-6(11)9(13)14-8(4)3-7(5)12/h1-3H,(H2,13,14).
What are the key properties of 3,6-dibromo-7-iodoquinolin-2-amine?
3,6-dibromo-7-iodoquinolin-2-amine has a molecular weight of 427.87 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-7-iodoquinolin-2-amine is sourced from PubChem (CID 171363911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).