3-bromo-2-chloro-5-(iodomethyl)pyridine

C6H4BrClIN — CID 89271552

IUPAC3-bromo-2-chloro-5-(iodomethyl)pyridine
SMILESClc1ncc(CI)cc1Br
InChIInChI=1S/C6H4BrClIN/c7-5-1-4(2-9)3-10-6(5)8/h1,3H,2H2
InChIKeyVWYCZORXXWVHDN-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.43
Rot. Bonds1

About 3-bromo-2-chloro-5-(iodomethyl)pyridine

3-bromo-2-chloro-5-(iodomethyl)pyridine (PubChem CID 89271552) has the molecular formula C6H4BrClIN and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(iodomethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(iodomethyl)pyridine
PubChem CID89271552
Molecular FormulaC6H4BrClIN
Molecular Weight332.37 g/mol
Exact Mass330.83
IUPAC Name3-bromo-2-chloro-5-(iodomethyl)pyridine
SMILESClc1ncc(CI)cc1Br
InChIInChI=1S/C6H4BrClIN/c7-5-1-4(2-9)3-10-6(5)8/h1,3H,2H2
InChIKeyVWYCZORXXWVHDN-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-chloro-5-(chloromethyl)pyridine
CID 24990433
3-bromo-2-chloro-5-nitrosopyridine
CID 146338687
2-(5-bromo-6-chloro-3-pyridinyl)ethyl acetate
CID 151740003
3-chloro-5-(iodomethyl)pyridine-2-carboxylic acid
CID 89158028
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094
(3S)-4-[(5-bromo-6-chloro-3-pyridinyl)methyl]-3-methylpiperazine-1-carboxylic acid
CID 135387986
3-fluoro-5-(iodomethyl)-2-methylpyridine
CID 171544442
5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
CID 158243562
2,3-dichloro-5-ethylpyridine
CID 20678674
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(iodomethyl)pyridine?
The IUPAC name of 3-bromo-2-chloro-5-(iodomethyl)pyridine (CID 89271552) is 3-bromo-2-chloro-5-(iodomethyl)pyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(iodomethyl)pyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(iodomethyl)pyridine is Clc1ncc(CI)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-(iodomethyl)pyridine?
The InChIKey is VWYCZORXXWVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClIN/c7-5-1-4(2-9)3-10-6(5)8/h1,3H,2H2.
What are the key properties of 3-bromo-2-chloro-5-(iodomethyl)pyridine?
3-bromo-2-chloro-5-(iodomethyl)pyridine has a molecular weight of 332.37 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(iodomethyl)pyridine is sourced from PubChem (CID 89271552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).