2-bromo(212C)pyridine

C5H4BrN — CID 126713665

IUPAC2-bromo(212C)pyridine
SMILESBr[12c]1ccccn1
InChIInChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H/i5+0
InChIKeyIMRWILPUOVGIMU-YXLLSUOZSA-N
MW157.99 g/mol
LogP1.84
Rot. Bonds

About 2-bromo(212C)pyridine

2-bromo(212C)pyridine (PubChem CID 126713665) has the molecular formula C5H4BrN and a molecular weight of 157.99 g/mol. Its IUPAC name is 2-bromo(212C)pyridine.

Molecular Properties

Compound Name2-bromo(212C)pyridine
PubChem CID126713665
Molecular FormulaC5H4BrN
Molecular Weight157.99 g/mol
Exact Mass156.95
IUPAC Name2-bromo(212C)pyridine
SMILESBr[12c]1ccccn1
InChIInChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H/i5+0
InChIKeyIMRWILPUOVGIMU-YXLLSUOZSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.99
LogP ≤ 51.84
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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Related Compounds

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6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
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2-(6-bromo-3-pyridinyl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo(212C)pyridine?
The IUPAC name of 2-bromo(212C)pyridine (CID 126713665) is 2-bromo(212C)pyridine.
What is the SMILES notation for 2-bromo(212C)pyridine?
The canonical SMILES for 2-bromo(212C)pyridine is Br[12c]1ccccn1.
What is the InChIKey of 2-bromo(212C)pyridine?
The InChIKey is IMRWILPUOVGIMU-YXLLSUOZSA-N. The full InChI is InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H/i5+0.
What are the key properties of 2-bromo(212C)pyridine?
2-bromo(212C)pyridine has a molecular weight of 157.99 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo(212C)pyridine is sourced from PubChem (CID 126713665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).