3-bromo-2-chloropyridine

C5H3BrClN — CID 693324

IUPAC3-bromo-2-chloropyridine
SMILESClc1ncccc1Br
InChIInChI=1S/C5H3BrClN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKeyHDYNIWBNWMFBDO-UHFFFAOYSA-N
MW192.44 g/mol
LogP2.50
Rot. Bonds

About 3-bromo-2-chloropyridine

3-bromo-2-chloropyridine (PubChem CID 693324) has the molecular formula C5H3BrClN and a molecular weight of 192.44 g/mol. Its IUPAC name is 3-bromo-2-chloropyridine.

Molecular Properties

Compound Name3-bromo-2-chloropyridine
PubChem CID693324
Molecular FormulaC5H3BrClN
Molecular Weight192.44 g/mol
Exact Mass190.91
IUPAC Name3-bromo-2-chloropyridine
SMILESClc1ncccc1Br
InChIInChI=1S/C5H3BrClN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKeyHDYNIWBNWMFBDO-UHFFFAOYSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloropyridine?
The IUPAC name of 3-bromo-2-chloropyridine (CID 693324) is 3-bromo-2-chloropyridine.
What is the SMILES notation for 3-bromo-2-chloropyridine?
The canonical SMILES for 3-bromo-2-chloropyridine is Clc1ncccc1Br.
What is the InChIKey of 3-bromo-2-chloropyridine?
The InChIKey is HDYNIWBNWMFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClN/c6-4-2-1-3-8-5(4)7/h1-3H.
What are the key properties of 3-bromo-2-chloropyridine?
3-bromo-2-chloropyridine has a molecular weight of 192.44 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloropyridine is sourced from PubChem (CID 693324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).