3-bromo-5-pyrazol-1-ylpyridine

C8H6BrN3 — CID 66521212

IUPAC3-bromo-5-pyrazol-1-ylpyridine
SMILESBrc1cncc(-n2cccn2)c1
InChIInChI=1S/C8H6BrN3/c9-7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6H
InChIKeyQSBMUGHGWPSMLJ-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 3-bromo-5-pyrazol-1-ylpyridine

3-bromo-5-pyrazol-1-ylpyridine (PubChem CID 66521212) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 3-bromo-5-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-bromo-5-pyrazol-1-ylpyridine
PubChem CID66521212
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name3-bromo-5-pyrazol-1-ylpyridine
SMILESBrc1cncc(-n2cccn2)c1
InChIInChI=1S/C8H6BrN3/c9-7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6H
InChIKeyQSBMUGHGWPSMLJ-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 3-bromo-5-pyrazol-1-ylpyridine?
The IUPAC name of 3-bromo-5-pyrazol-1-ylpyridine (CID 66521212) is 3-bromo-5-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-bromo-5-pyrazol-1-ylpyridine?
The canonical SMILES for 3-bromo-5-pyrazol-1-ylpyridine is Brc1cncc(-n2cccn2)c1.
What is the InChIKey of 3-bromo-5-pyrazol-1-ylpyridine?
The InChIKey is QSBMUGHGWPSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6H.
What are the key properties of 3-bromo-5-pyrazol-1-ylpyridine?
3-bromo-5-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 3-bromo-5-pyrazol-1-ylpyridine is sourced from PubChem (CID 66521212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).