2-(bromomethyl)-5-chloro-3-iodopyridine

C6H4BrClIN — CID 133059296

IUPAC2-(bromomethyl)-5-chloro-3-iodopyridine
SMILESClc1cnc(CBr)c(I)c1
InChIInChI=1S/C6H4BrClIN/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2H2
InChIKeyVREPTZJVCQNOFS-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.23
Rot. Bonds1

About 2-(bromomethyl)-5-chloro-3-iodopyridine

2-(bromomethyl)-5-chloro-3-iodopyridine (PubChem CID 133059296) has the molecular formula C6H4BrClIN and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-3-iodopyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-3-iodopyridine
PubChem CID133059296
Molecular FormulaC6H4BrClIN
Molecular Weight332.37 g/mol
Exact Mass330.83
IUPAC Name2-(bromomethyl)-5-chloro-3-iodopyridine
SMILESClc1cnc(CBr)c(I)c1
InChIInChI=1S/C6H4BrClIN/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2H2
InChIKeyVREPTZJVCQNOFS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-chloro-5-iodopyridine
CID 133061012
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
2-(bromomethyl)-3-fluoro-5-iodopyridine
CID 131051007
2-(bromomethyl)-5-iodopyridin-3-amine
CID 133057818
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
CID 134629812
2-(5-chloro-3-hydroxy-2-pyridinyl)acetamide
CID 133058864
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
CID 165067563
2-(aminomethyl)-5-chloropyridin-3-ol
CID 133057163
5-chloro-2-iodopyridin-3-amine
CID 53485481
5-chloro-2-(2,4-dichlorophenyl)-3-iodopyridine
CID 133088212
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-3-iodopyridine?
The IUPAC name of 2-(bromomethyl)-5-chloro-3-iodopyridine (CID 133059296) is 2-(bromomethyl)-5-chloro-3-iodopyridine.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-3-iodopyridine?
The canonical SMILES for 2-(bromomethyl)-5-chloro-3-iodopyridine is Clc1cnc(CBr)c(I)c1.
What is the InChIKey of 2-(bromomethyl)-5-chloro-3-iodopyridine?
The InChIKey is VREPTZJVCQNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClIN/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2H2.
What are the key properties of 2-(bromomethyl)-5-chloro-3-iodopyridine?
2-(bromomethyl)-5-chloro-3-iodopyridine has a molecular weight of 332.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-3-iodopyridine is sourced from PubChem (CID 133059296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).