5-bromo-2-(1H-pyrazol-5-yl)pyridine

C8H6BrN3 — CID 22032498

IUPAC5-bromo-2-(1H-pyrazol-5-yl)pyridine
SMILESBrc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C8H6BrN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
InChIKeyHTQYPOCKOBSRSX-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-2-(1H-pyrazol-5-yl)pyridine

5-bromo-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 22032498) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromo-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1H-pyrazol-5-yl)pyridine
PubChem CID22032498
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name5-bromo-2-(1H-pyrazol-5-yl)pyridine
SMILESBrc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C8H6BrN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
InChIKeyHTQYPOCKOBSRSX-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-bromo-2-(1H-pyrazol-5-yl)pyridine (CID 22032498) is 5-bromo-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1H-pyrazol-5-yl)pyridine is Brc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 5-bromo-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is HTQYPOCKOBSRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12).
What are the key properties of 5-bromo-2-(1H-pyrazol-5-yl)pyridine?
5-bromo-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 224.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 22032498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).