3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C6H8BrN3 — CID 105454051

IUPAC3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESBrc1n[nH]c2c1CNCC2
InChIInChI=1S/C6H8BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10)
InChIKeyBYKNJEDJLDYQPM-UHFFFAOYSA-N
MW202.05 g/mol
LogP0.82
Rot. Bonds

About 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 105454051) has the molecular formula C6H8BrN3 and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID105454051
Molecular FormulaC6H8BrN3
Molecular Weight202.05 g/mol
Exact Mass200.99
IUPAC Name3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESBrc1n[nH]c2c1CNCC2
InChIInChI=1S/C6H8BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10)
InChIKeyBYKNJEDJLDYQPM-UHFFFAOYSA-N
XLogP0.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 105454051) is 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is Brc1n[nH]c2c1CNCC2.
What is the InChIKey of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is BYKNJEDJLDYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10).
What are the key properties of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 202.05 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 105454051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).