3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile

C9H5N3O — CID 164558977

IUPAC3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(C=O)cnn2c1
InChIInChI=1S/C9H5N3O/c10-3-7-1-2-9-8(6-13)4-11-12(9)5-7/h1-2,4-6H
InChIKeyOSQWPJHBOWDBKD-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.02
Rot. Bonds1

About 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile

3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 164558977) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID164558977
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(C=O)cnn2c1
InChIInChI=1S/C9H5N3O/c10-3-7-1-2-9-8(6-13)4-11-12(9)5-7/h1-2,4-6H
InChIKeyOSQWPJHBOWDBKD-UHFFFAOYSA-N
XLogP1.02
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105435034
6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 164559883
3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
CID 130047076
3-bromo-4-formylbenzonitrile
CID 20510518
3-formyl-4-hydroxybenzonitrile
CID 11789350
3-formyl-1-methylphosphanylindole-5-carbonitrile
CID 143239411
1-ethyl-3-formylindole-5-carbonitrile
CID 53415945
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167725185
6-fluoro-5-formylpyridine-3-carbonitrile
CID 121380176
N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 89029718

Frequently Asked Questions

What is the IUPAC name of 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile (CID 164558977) is 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile is N#Cc1ccc2c(C=O)cnn2c1.
What is the InChIKey of 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is OSQWPJHBOWDBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-3-7-1-2-9-8(6-13)4-11-12(9)5-7/h1-2,4-6H.
What are the key properties of 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile?
3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 164558977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).