2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide

C6H10BrN3O — CID 139248125

IUPAC2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide
SMILESOn1cc2c(n1)CC[NH2+]C2.[Br-]
InChIInChI=1S/C6H9N3O.BrH/c10-9-4-5-3-7-2-1-6(5)8-9;/h4,7,10H,1-3H2;1H
InChIKeyGYYISPBIAZZKEG-UHFFFAOYSA-N
MW220.07 g/mol
LogP-4.26
Rot. Bonds

About 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide

2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide (PubChem CID 139248125) has the molecular formula C6H10BrN3O and a molecular weight of 220.07 g/mol. Its IUPAC name is 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide.

Molecular Properties

Compound Name2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide
PubChem CID139248125
Molecular FormulaC6H10BrN3O
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide
SMILESOn1cc2c(n1)CC[NH2+]C2.[Br-]
InChIInChI=1S/C6H9N3O.BrH/c10-9-4-5-3-7-2-1-6(5)8-9;/h4,7,10H,1-3H2;1H
InChIKeyGYYISPBIAZZKEG-UHFFFAOYSA-N
XLogP-4.26
TPSA54.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 5-4.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide?
The IUPAC name of 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide (CID 139248125) is 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide.
What is the SMILES notation for 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide?
The canonical SMILES for 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide is On1cc2c(n1)CC[NH2+]C2.[Br-].
What is the InChIKey of 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide?
The InChIKey is GYYISPBIAZZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.BrH/c10-9-4-5-3-7-2-1-6(5)8-9;/h4,7,10H,1-3H2;1H.
What are the key properties of 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide?
2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide has a molecular weight of 220.07 g/mol, XLogP of -4.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide is sourced from PubChem (CID 139248125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).