3-(azidomethyl)-5-fluoropyridine

C6H5FN4 — CID 103845732

IUPAC3-(azidomethyl)-5-fluoropyridine
SMILES[N-]=[N+]=NCc1cncc(F)c1
InChIInChI=1S/C6H5FN4/c7-6-1-5(2-9-4-6)3-10-11-8/h1-2,4H,3H2
InChIKeyVHLLRQJZCVEQOA-UHFFFAOYSA-N
MW152.13 g/mol
LogP2.03
Rot. Bonds2

About 3-(azidomethyl)-5-fluoropyridine

3-(azidomethyl)-5-fluoropyridine (PubChem CID 103845732) has the molecular formula C6H5FN4 and a molecular weight of 152.13 g/mol. Its IUPAC name is 3-(azidomethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(azidomethyl)-5-fluoropyridine
PubChem CID103845732
Molecular FormulaC6H5FN4
Molecular Weight152.13 g/mol
Exact Mass152.05
IUPAC Name3-(azidomethyl)-5-fluoropyridine
SMILES[N-]=[N+]=NCc1cncc(F)c1
InChIInChI=1S/C6H5FN4/c7-6-1-5(2-9-4-6)3-10-11-8/h1-2,4H,3H2
InChIKeyVHLLRQJZCVEQOA-UHFFFAOYSA-N
XLogP2.03
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(azidomethyl)-5-fluoropyridine?
The IUPAC name of 3-(azidomethyl)-5-fluoropyridine (CID 103845732) is 3-(azidomethyl)-5-fluoropyridine.
What is the SMILES notation for 3-(azidomethyl)-5-fluoropyridine?
The canonical SMILES for 3-(azidomethyl)-5-fluoropyridine is [N-]=[N+]=NCc1cncc(F)c1.
What is the InChIKey of 3-(azidomethyl)-5-fluoropyridine?
The InChIKey is VHLLRQJZCVEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4/c7-6-1-5(2-9-4-6)3-10-11-8/h1-2,4H,3H2.
What are the key properties of 3-(azidomethyl)-5-fluoropyridine?
3-(azidomethyl)-5-fluoropyridine has a molecular weight of 152.13 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5-fluoropyridine is sourced from PubChem (CID 103845732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).