3-(4-bromopyrazol-1-yl)pyridine

C8H6BrN3 — CID 12661209

IUPAC3-(4-bromopyrazol-1-yl)pyridine
SMILESBrc1cnn(-c2cccnc2)c1
InChIInChI=1S/C8H6BrN3/c9-7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H
InChIKeyGEHXUIGDGPBAHL-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)pyridine

3-(4-bromopyrazol-1-yl)pyridine (PubChem CID 12661209) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)pyridine
PubChem CID12661209
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name3-(4-bromopyrazol-1-yl)pyridine
SMILESBrc1cnn(-c2cccnc2)c1
InChIInChI=1S/C8H6BrN3/c9-7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H
InChIKeyGEHXUIGDGPBAHL-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-(4-bromopyrazol-1-yl)pyridine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)pyridine (CID 12661209) is 3-(4-bromopyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)pyridine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)pyridine is Brc1cnn(-c2cccnc2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)pyridine?
The InChIKey is GEHXUIGDGPBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H.
What are the key properties of 3-(4-bromopyrazol-1-yl)pyridine?
3-(4-bromopyrazol-1-yl)pyridine 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-(4-bromopyrazol-1-yl)pyridine is sourced from PubChem (CID 12661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).