3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C8H10BrClN2 — CID 68790004

IUPAC3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClCc1nn2c(c1Br)CCCC2
InChIInChI=1S/C8H10BrClN2/c9-8-6(5-10)11-12-4-2-1-3-7(8)12/h1-5H2
InChIKeyHOEDBIPRQZNVLG-UHFFFAOYSA-N
MW249.54 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 68790004) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID68790004
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClCc1nn2c(c1Br)CCCC2
InChIInChI=1S/C8H10BrClN2/c9-8-6(5-10)11-12-4-2-1-3-7(8)12/h1-5H2
InChIKeyHOEDBIPRQZNVLG-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 68790004) is 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is ClCc1nn2c(c1Br)CCCC2.
What is the InChIKey of 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is HOEDBIPRQZNVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c9-8-6(5-10)11-12-4-2-1-3-7(8)12/h1-5H2.
What are the key properties of 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 249.54 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 68790004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).