4-bromo-2-chloro-3,5-dideuteriopyridine

C5H3BrClN — CID 178051658

IUPAC4-bromo-2-chloro-3,5-dideuteriopyridine
SMILES[2H]c1cnc(Cl)c([2H])c1Br
InChIInChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H/i1D,3D
InChIKeyONHMWUXYIFULDO-SDTNDFKLSA-N
MW194.46 g/mol
LogP2.50
Rot. Bonds

About 4-bromo-2-chloro-3,5-dideuteriopyridine

4-bromo-2-chloro-3,5-dideuteriopyridine (PubChem CID 178051658) has the molecular formula C5H3BrClN and a molecular weight of 194.46 g/mol. Its IUPAC name is 4-bromo-2-chloro-3,5-dideuteriopyridine.

Molecular Properties

Compound Name4-bromo-2-chloro-3,5-dideuteriopyridine
PubChem CID178051658
Molecular FormulaC5H3BrClN
Molecular Weight194.46 g/mol
Exact Mass192.93
IUPAC Name4-bromo-2-chloro-3,5-dideuteriopyridine
SMILES[2H]c1cnc(Cl)c([2H])c1Br
InChIInChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H/i1D,3D
InChIKeyONHMWUXYIFULDO-SDTNDFKLSA-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 ≤ 500194.46
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 4-bromo-2-chloro-3,5-dideuteriopyridine?
The IUPAC name of 4-bromo-2-chloro-3,5-dideuteriopyridine (CID 178051658) is 4-bromo-2-chloro-3,5-dideuteriopyridine.
What is the SMILES notation for 4-bromo-2-chloro-3,5-dideuteriopyridine?
The canonical SMILES for 4-bromo-2-chloro-3,5-dideuteriopyridine is [2H]c1cnc(Cl)c([2H])c1Br.
What is the InChIKey of 4-bromo-2-chloro-3,5-dideuteriopyridine?
The InChIKey is ONHMWUXYIFULDO-SDTNDFKLSA-N. The full InChI is InChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H/i1D,3D.
What are the key properties of 4-bromo-2-chloro-3,5-dideuteriopyridine?
4-bromo-2-chloro-3,5-dideuteriopyridine has a molecular weight of 194.46 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 4-bromo-2-chloro-3,5-dideuteriopyridine is sourced from PubChem (CID 178051658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).