3-(bromomethyl)-2-chloropyridine

C6H5BrClN — CID 18931028

IUPAC3-(bromomethyl)-2-chloropyridine
SMILESClc1ncccc1CBr
InChIInChI=1S/C6H5BrClN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2
InChIKeySAHDPMALJLPDBE-UHFFFAOYSA-N
MW206.47 g/mol
LogP2.63
Rot. Bonds1

About 3-(bromomethyl)-2-chloropyridine

3-(bromomethyl)-2-chloropyridine (PubChem CID 18931028) has the molecular formula C6H5BrClN and a molecular weight of 206.47 g/mol. Its IUPAC name is 3-(bromomethyl)-2-chloropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-chloropyridine
PubChem CID18931028
Molecular FormulaC6H5BrClN
Molecular Weight206.47 g/mol
Exact Mass204.93
IUPAC Name3-(bromomethyl)-2-chloropyridine
SMILESClc1ncccc1CBr
InChIInChI=1S/C6H5BrClN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2
InChIKeySAHDPMALJLPDBE-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.47
LogP ≤ 52.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-chloropyridine?
The IUPAC name of 3-(bromomethyl)-2-chloropyridine (CID 18931028) is 3-(bromomethyl)-2-chloropyridine.
What is the SMILES notation for 3-(bromomethyl)-2-chloropyridine?
The canonical SMILES for 3-(bromomethyl)-2-chloropyridine is Clc1ncccc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-chloropyridine?
The InChIKey is SAHDPMALJLPDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2.
What are the key properties of 3-(bromomethyl)-2-chloropyridine?
3-(bromomethyl)-2-chloropyridine has a molecular weight of 206.47 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-chloropyridine is sourced from PubChem (CID 18931028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).