5-(bromomethyl)-2-chloropyridine

C6H5BrClN — CID 6424661

IUPAC5-(bromomethyl)-2-chloropyridine
SMILESClc1ccc(CBr)cn1
InChIInChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKeyYJOULMMJZAADRY-UHFFFAOYSA-N
MW206.47 g/mol
LogP2.63
Rot. Bonds1

About 5-(bromomethyl)-2-chloropyridine

5-(bromomethyl)-2-chloropyridine (PubChem CID 6424661) has the molecular formula C6H5BrClN and a molecular weight of 206.47 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloropyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloropyridine
PubChem CID6424661
Molecular FormulaC6H5BrClN
Molecular Weight206.47 g/mol
Exact Mass204.93
IUPAC Name5-(bromomethyl)-2-chloropyridine
SMILESClc1ccc(CBr)cn1
InChIInChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKeyYJOULMMJZAADRY-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 5-(bromomethyl)-2-chloropyridine?
The IUPAC name of 5-(bromomethyl)-2-chloropyridine (CID 6424661) is 5-(bromomethyl)-2-chloropyridine.
What is the SMILES notation for 5-(bromomethyl)-2-chloropyridine?
The canonical SMILES for 5-(bromomethyl)-2-chloropyridine is Clc1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-chloropyridine?
The InChIKey is YJOULMMJZAADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2.
What are the key properties of 5-(bromomethyl)-2-chloropyridine?
5-(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 5-(bromomethyl)-2-chloropyridine is sourced from PubChem (CID 6424661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).