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

C6H10BrCl2N3 — CID 155821582

IUPAC3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESBrc1n[nH]c2c1CNCC2.Cl.Cl
InChIInChI=1S/C6H8BrN3.2ClH/c7-6-4-3-8-2-1-5(4)9-10-6;;/h8H,1-3H2,(H,9,10);2*1H
InChIKeyUCAJWEKANOXPKB-UHFFFAOYSA-N
MW274.98 g/mol
LogP1.66
Rot. Bonds

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

3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (PubChem CID 155821582) has the molecular formula C6H10BrCl2N3 and a molecular weight of 274.98 g/mol. Its IUPAC name is 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
PubChem CID155821582
Molecular FormulaC6H10BrCl2N3
Molecular Weight274.98 g/mol
Exact Mass272.94
IUPAC Name3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESBrc1n[nH]c2c1CNCC2.Cl.Cl
InChIInChI=1S/C6H8BrN3.2ClH/c7-6-4-3-8-2-1-5(4)9-10-6;;/h8H,1-3H2,(H,9,10);2*1H
InChIKeyUCAJWEKANOXPKB-UHFFFAOYSA-N
XLogP1.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.98
LogP ≤ 51.66
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;dihydrochloride?
The IUPAC name of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (CID 155821582) is 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.
What is the SMILES notation for 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The canonical SMILES for 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride is Brc1n[nH]c2c1CNCC2.Cl.Cl.
What is the InChIKey of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The InChIKey is UCAJWEKANOXPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3.2ClH/c7-6-4-3-8-2-1-5(4)9-10-6;;/h8H,1-3H2,(H,9,10);2*1H.
What are the key properties of 3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride has a molecular weight of 274.98 g/mol, XLogP of 1.66, 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;dihydrochloride is sourced from PubChem (CID 155821582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).