3-bromo-2H-pyrazolo[3,4-c]pyridine

C6H4BrN3 — CID 12668493

IUPAC3-bromo-2H-pyrazolo[3,4-c]pyridine
SMILESBrc1[nH]nc2cnccc12
InChIInChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKeyANQCOJNSEVIFFL-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 3-bromo-2H-pyrazolo[3,4-c]pyridine

3-bromo-2H-pyrazolo[3,4-c]pyridine (PubChem CID 12668493) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 3-bromo-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-bromo-2H-pyrazolo[3,4-c]pyridine
PubChem CID12668493
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name3-bromo-2H-pyrazolo[3,4-c]pyridine
SMILESBrc1[nH]nc2cnccc12
InChIInChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKeyANQCOJNSEVIFFL-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-bromo-2H-pyrazolo[3,4-c]pyridine (CID 12668493) is 3-bromo-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-bromo-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-bromo-2H-pyrazolo[3,4-c]pyridine is Brc1[nH]nc2cnccc12.
What is the InChIKey of 3-bromo-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is ANQCOJNSEVIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10).
What are the key properties of 3-bromo-2H-pyrazolo[3,4-c]pyridine?
3-bromo-2H-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 3-bromo-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 12668493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).