2-bromo-2,5-dichloro-1H-pyridine

C5H4BrCl2N — CID 67328469

IUPAC2-bromo-2,5-dichloro-1H-pyridine
SMILESClC1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C5H4BrCl2N/c6-5(8)2-1-4(7)3-9-5/h1-3,9H
InChIKeyDQDONICRLLEDKV-UHFFFAOYSA-N
MW228.90 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-2,5-dichloro-1H-pyridine

2-bromo-2,5-dichloro-1H-pyridine (PubChem CID 67328469) has the molecular formula C5H4BrCl2N and a molecular weight of 228.90 g/mol. Its IUPAC name is 2-bromo-2,5-dichloro-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2,5-dichloro-1H-pyridine
PubChem CID67328469
Molecular FormulaC5H4BrCl2N
Molecular Weight228.90 g/mol
Exact Mass226.89
IUPAC Name2-bromo-2,5-dichloro-1H-pyridine
SMILESClC1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C5H4BrCl2N/c6-5(8)2-1-4(7)3-9-5/h1-3,9H
InChIKeyDQDONICRLLEDKV-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.90
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,5-dichloro-1H-pyridine?
The IUPAC name of 2-bromo-2,5-dichloro-1H-pyridine (CID 67328469) is 2-bromo-2,5-dichloro-1H-pyridine.
What is the SMILES notation for 2-bromo-2,5-dichloro-1H-pyridine?
The canonical SMILES for 2-bromo-2,5-dichloro-1H-pyridine is ClC1=CNC(Cl)(Br)C=C1.
What is the InChIKey of 2-bromo-2,5-dichloro-1H-pyridine?
The InChIKey is DQDONICRLLEDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrCl2N/c6-5(8)2-1-4(7)3-9-5/h1-3,9H.
What are the key properties of 2-bromo-2,5-dichloro-1H-pyridine?
2-bromo-2,5-dichloro-1H-pyridine has a molecular weight of 228.90 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,5-dichloro-1H-pyridine is sourced from PubChem (CID 67328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).