3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C7H8BrFN2 — CID 135241520

IUPAC3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFC1CCCn2ncc(Br)c21
InChIInChI=1S/C7H8BrFN2/c8-5-4-10-11-3-1-2-6(9)7(5)11/h4,6H,1-3H2
InChIKeyQSUXSDBNZQCXTK-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.45
Rot. Bonds

About 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 135241520) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID135241520
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFC1CCCn2ncc(Br)c21
InChIInChI=1S/C7H8BrFN2/c8-5-4-10-11-3-1-2-6(9)7(5)11/h4,6H,1-3H2
InChIKeyQSUXSDBNZQCXTK-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 135241520) is 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is FC1CCCn2ncc(Br)c21.
What is the InChIKey of 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is QSUXSDBNZQCXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c8-5-4-10-11-3-1-2-6(9)7(5)11/h4,6H,1-3H2.
What are the key properties of 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 219.06 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 135241520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).