5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine

C8H8BrN3 — CID 70976833

IUPAC5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
SMILESBrc1ccc(N2C=CCN2)nc1
InChIInChI=1S/C8H8BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-3,5-6,11H,4H2
InChIKeyMLTFZHAVZZWYTJ-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine

5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine (PubChem CID 70976833) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
PubChem CID70976833
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
SMILESBrc1ccc(N2C=CCN2)nc1
InChIInChI=1S/C8H8BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-3,5-6,11H,4H2
InChIKeyMLTFZHAVZZWYTJ-UHFFFAOYSA-N
XLogP1.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
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1-(5-bromo-2-pyridinyl)azocane
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5-bromo-2-piperidin-1-ylpyridine;hydrochloride
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2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 146270873
2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 131059633
1-(5-bromo-2-pyridinyl)-1,4-diazepine
CID 142756252
3-(5-bromo-2-pyridinyl)-1H-imidazole-2-thione
CID 10515215
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
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3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine (CID 70976833) is 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine is Brc1ccc(N2C=CCN2)nc1.
What is the InChIKey of 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine?
The InChIKey is MLTFZHAVZZWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-3,5-6,11H,4H2.
What are the key properties of 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine?
5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine has a molecular weight of 226.08 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine is sourced from PubChem (CID 70976833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).