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

C7H5N3O — CID 84649151

IUPAC2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
SMILESO=Cc1[nH]nc2cnccc12
InChIInChI=1S/C7H5N3O/c11-4-7-5-1-2-8-3-6(5)9-10-7/h1-4H,(H,9,10)
InChIKeyWRKZCQPEMTTXMX-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.77
Rot. Bonds1

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

2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde (PubChem CID 84649151) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
PubChem CID84649151
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
SMILESO=Cc1[nH]nc2cnccc12
InChIInChI=1S/C7H5N3O/c11-4-7-5-1-2-8-3-6(5)9-10-7/h1-4H,(H,9,10)
InChIKeyWRKZCQPEMTTXMX-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde?
The IUPAC name of 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde (CID 84649151) is 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde is O=Cc1[nH]nc2cnccc12.
What is the InChIKey of 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde?
The InChIKey is WRKZCQPEMTTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-4-7-5-1-2-8-3-6(5)9-10-7/h1-4H,(H,9,10).
What are the key properties of 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde?
2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 84649151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).