2-bromo-4-chloro-3-iodopyridine

C5H2BrClIN — CID 59332995

IUPAC2-bromo-4-chloro-3-iodopyridine
SMILESClc1ccnc(Br)c1I
InChIInChI=1S/C5H2BrClIN/c6-5-4(8)3(7)1-2-9-5/h1-2H
InChIKeyNFUWRKVQFCTVNF-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.10
Rot. Bonds

About 2-bromo-4-chloro-3-iodopyridine

2-bromo-4-chloro-3-iodopyridine (PubChem CID 59332995) has the molecular formula C5H2BrClIN and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-bromo-4-chloro-3-iodopyridine.

Molecular Properties

Compound Name2-bromo-4-chloro-3-iodopyridine
PubChem CID59332995
Molecular FormulaC5H2BrClIN
Molecular Weight318.34 g/mol
Exact Mass316.81
IUPAC Name2-bromo-4-chloro-3-iodopyridine
SMILESClc1ccnc(Br)c1I
InChIInChI=1S/C5H2BrClIN/c6-5-4(8)3(7)1-2-9-5/h1-2H
InChIKeyNFUWRKVQFCTVNF-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-3-iodopyridine 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 2-bromo-4-chloro-3-iodopyridine?
The IUPAC name of 2-bromo-4-chloro-3-iodopyridine (CID 59332995) is 2-bromo-4-chloro-3-iodopyridine.
What is the SMILES notation for 2-bromo-4-chloro-3-iodopyridine?
The canonical SMILES for 2-bromo-4-chloro-3-iodopyridine is Clc1ccnc(Br)c1I.
What is the InChIKey of 2-bromo-4-chloro-3-iodopyridine?
The InChIKey is NFUWRKVQFCTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClIN/c6-5-4(8)3(7)1-2-9-5/h1-2H.
What are the key properties of 2-bromo-4-chloro-3-iodopyridine?
2-bromo-4-chloro-3-iodopyridine has a molecular weight of 318.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-3-iodopyridine is sourced from PubChem (CID 59332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).