4-bromo-1H-pyrazolo[3,4-c]pyridine

C6H4BrN3 — CID 46916247

IUPAC4-bromo-1H-pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2[nH]ncc12
InChIInChI=1S/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10)
InChIKeyKFGSMEJCZZYNNG-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 4-bromo-1H-pyrazolo[3,4-c]pyridine

4-bromo-1H-pyrazolo[3,4-c]pyridine (PubChem CID 46916247) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 4-bromo-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-1H-pyrazolo[3,4-c]pyridine
PubChem CID46916247
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name4-bromo-1H-pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2[nH]ncc12
InChIInChI=1S/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10)
InChIKeyKFGSMEJCZZYNNG-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
CID 54673065
3-Bromo-1H-pyrazolo(3,4-c)pyridine
CID 12668493
6-Bromo-1H-pyrazolo[4,3-b]pyridine
CID 40152259
5-chloro-1H-pyrazolo(3,4-c)pyridine
CID 640857
1H-Pyrazolo[3,4-c]pyridine
CID 6451441
4-(4-Bromo-1H-pyrazol-5-yl)pyridine
CID 45926067
3-Bromo-1H-pyrrolo[2,3-c]pyridine
CID 12410856
4-Bromo-1H-pyrrolo(2,3-c)pyridine
CID 12510055
1H-Pyrazolo[4,3-c]pyridine
CID 19930500
1H-Pyrazolo(4,3-b)pyridine
CID 21643653
3-Iodo-1H-pyrazolo[3,4-c]pyridine
CID 53399429
7-Chloro-1H-pyrazolo[3,4-c]pyridine
CID 12668491

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-1H-pyrazolo[3,4-c]pyridine (CID 46916247) is 4-bromo-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-1H-pyrazolo[3,4-c]pyridine is Brc1cncc2[nH]ncc12.
What is the InChIKey of 4-bromo-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is KFGSMEJCZZYNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10).
What are the key properties of 4-bromo-1H-pyrazolo[3,4-c]pyridine?
4-bromo-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 46916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).