bromomethane;4-chloropyridine

C6H7BrClN — CID 67918346

IUPACbromomethane;4-chloropyridine
SMILESCBr.Clc1ccncc1
InChIInChI=1S/C5H4ClN.CH3Br/c6-5-1-3-7-4-2-5;1-2/h1-4H;1H3
InChIKeyNEZYHXUMDRAFML-UHFFFAOYSA-N
MW208.49 g/mol
LogP2.75
Rot. Bonds

About bromomethane;4-chloropyridine

bromomethane;4-chloropyridine (PubChem CID 67918346) has the molecular formula C6H7BrClN and a molecular weight of 208.49 g/mol. Its IUPAC name is bromomethane;4-chloropyridine.

Molecular Properties

Compound Namebromomethane;4-chloropyridine
PubChem CID67918346
Molecular FormulaC6H7BrClN
Molecular Weight208.49 g/mol
Exact Mass206.95
IUPAC Namebromomethane;4-chloropyridine
SMILESCBr.Clc1ccncc1
InChIInChI=1S/C5H4ClN.CH3Br/c6-5-1-3-7-4-2-5;1-2/h1-4H;1H3
InChIKeyNEZYHXUMDRAFML-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethane;4-chloropyridine?
The IUPAC name of bromomethane;4-chloropyridine (CID 67918346) is bromomethane;4-chloropyridine.
What is the SMILES notation for bromomethane;4-chloropyridine?
The canonical SMILES for bromomethane;4-chloropyridine is CBr.Clc1ccncc1.
What is the InChIKey of bromomethane;4-chloropyridine?
The InChIKey is NEZYHXUMDRAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.CH3Br/c6-5-1-3-7-4-2-5;1-2/h1-4H;1H3.
What are the key properties of bromomethane;4-chloropyridine?
bromomethane;4-chloropyridine has a molecular weight of 208.49 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;4-chloropyridine is sourced from PubChem (CID 67918346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).