3-(4-bromo-1H-pyrazol-5-yl)pyridine

C8H6BrN3 — CID 19751508

IUPAC3-(4-bromo-1H-pyrazol-5-yl)pyridine
SMILESBrc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h1-5H,(H,11,12)
InChIKeyQPQAWYNVLARCIB-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-bromo-1H-pyrazol-5-yl)pyridine

3-(4-bromo-1H-pyrazol-5-yl)pyridine (PubChem CID 19751508) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 3-(4-bromo-1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromo-1H-pyrazol-5-yl)pyridine
PubChem CID19751508
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name3-(4-bromo-1H-pyrazol-5-yl)pyridine
SMILESBrc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h1-5H,(H,11,12)
InChIKeyQPQAWYNVLARCIB-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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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
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3-(1H-pyrazol-5-yl)pyridine
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5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
4-(1H-pyrazol-4-yl)pyridine
CID 1417890
3-(1H-pyrazol-4-yl)pyridine
CID 1417907
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1H-pyrazol-5-yl)pyridine?
The IUPAC name of 3-(4-bromo-1H-pyrazol-5-yl)pyridine (CID 19751508) is 3-(4-bromo-1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 3-(4-bromo-1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 3-(4-bromo-1H-pyrazol-5-yl)pyridine is Brc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-(4-bromo-1H-pyrazol-5-yl)pyridine?
The InChIKey is QPQAWYNVLARCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h1-5H,(H,11,12).
What are the key properties of 3-(4-bromo-1H-pyrazol-5-yl)pyridine?
3-(4-bromo-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 3-(4-bromo-1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 19751508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).