6-bromo-5-chloro-3-iodopyridin-2-amine

C5H3BrClIN2 — CID 177338093

IUPAC6-bromo-5-chloro-3-iodopyridin-2-amine
SMILESNc1nc(Br)c(Cl)cc1I
InChIInChI=1S/C5H3BrClIN2/c6-4-2(7)1-3(8)5(9)10-4/h1H,(H2,9,10)
InChIKeyVAKOJZFQMYHPRR-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.68
Rot. Bonds

About 6-bromo-5-chloro-3-iodopyridin-2-amine

6-bromo-5-chloro-3-iodopyridin-2-amine (PubChem CID 177338093) has the molecular formula C5H3BrClIN2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-bromo-5-chloro-3-iodopyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-3-iodopyridin-2-amine
PubChem CID177338093
Molecular FormulaC5H3BrClIN2
Molecular Weight333.35 g/mol
Exact Mass331.82
IUPAC Name6-bromo-5-chloro-3-iodopyridin-2-amine
SMILESNc1nc(Br)c(Cl)cc1I
InChIInChI=1S/C5H3BrClIN2/c6-4-2(7)1-3(8)5(9)10-4/h1H,(H2,9,10)
InChIKeyVAKOJZFQMYHPRR-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-bromo-5-chloro-3-iodopyridin-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 6-bromo-5-chloro-3-iodopyridin-2-amine?
The IUPAC name of 6-bromo-5-chloro-3-iodopyridin-2-amine (CID 177338093) is 6-bromo-5-chloro-3-iodopyridin-2-amine.
What is the SMILES notation for 6-bromo-5-chloro-3-iodopyridin-2-amine?
The canonical SMILES for 6-bromo-5-chloro-3-iodopyridin-2-amine is Nc1nc(Br)c(Cl)cc1I.
What is the InChIKey of 6-bromo-5-chloro-3-iodopyridin-2-amine?
The InChIKey is VAKOJZFQMYHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClIN2/c6-4-2(7)1-3(8)5(9)10-4/h1H,(H2,9,10).
What are the key properties of 6-bromo-5-chloro-3-iodopyridin-2-amine?
6-bromo-5-chloro-3-iodopyridin-2-amine has a molecular weight of 333.35 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-3-iodopyridin-2-amine is sourced from PubChem (CID 177338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).