5-bromo-2-pyrazol-1-ylpyridine

C8H6BrN3 — CID 22631144

IUPAC5-bromo-2-pyrazol-1-ylpyridine
SMILESBrc1ccc(-n2cccn2)nc1
InChIInChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
InChIKeyAAZVSSMAJOIOOI-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 5-bromo-2-pyrazol-1-ylpyridine

5-bromo-2-pyrazol-1-ylpyridine (PubChem CID 22631144) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromo-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-pyrazol-1-ylpyridine
PubChem CID22631144
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name5-bromo-2-pyrazol-1-ylpyridine
SMILESBrc1ccc(-n2cccn2)nc1
InChIInChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
InChIKeyAAZVSSMAJOIOOI-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrazol-1-ylpyridine?
The IUPAC name of 5-bromo-2-pyrazol-1-ylpyridine (CID 22631144) is 5-bromo-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 5-bromo-2-pyrazol-1-ylpyridine?
The canonical SMILES for 5-bromo-2-pyrazol-1-ylpyridine is Brc1ccc(-n2cccn2)nc1.
What is the InChIKey of 5-bromo-2-pyrazol-1-ylpyridine?
The InChIKey is AAZVSSMAJOIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H.
What are the key properties of 5-bromo-2-pyrazol-1-ylpyridine?
5-bromo-2-pyrazol-1-ylpyridine has a molecular weight of 224.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 22631144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).