2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

C8H9F2N5 — CID 162349418

IUPAC2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1cc2n(n1)CCCC2(F)F
InChIInChI=1S/C8H9F2N5/c9-8(10)2-1-3-15-7(8)4-6(13-15)5-12-14-11/h4H,1-3,5H2
InChIKeyFRFJGBLSXNVXRN-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.58
Rot. Bonds2

About 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (PubChem CID 162349418) has the molecular formula C8H9F2N5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
PubChem CID162349418
Molecular FormulaC8H9F2N5
Molecular Weight213.19 g/mol
Exact Mass213.08
IUPAC Name2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1cc2n(n1)CCCC2(F)F
InChIInChI=1S/C8H9F2N5/c9-8(10)2-1-3-15-7(8)4-6(13-15)5-12-14-11/h4H,1-3,5H2
InChIKeyFRFJGBLSXNVXRN-UHFFFAOYSA-N
XLogP2.58
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (CID 162349418) is 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is [N-]=[N+]=NCc1cc2n(n1)CCCC2(F)F.
What is the InChIKey of 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The InChIKey is FRFJGBLSXNVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5/c9-8(10)2-1-3-15-7(8)4-6(13-15)5-12-14-11/h4H,1-3,5H2.
What are the key properties of 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine has a molecular weight of 213.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162349418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).