5-azido-3-fluoro-2-methoxypyridine

C6H5FN4O — CID 142621204

IUPAC5-azido-3-fluoro-2-methoxypyridine
SMILESCOc1ncc(N=[N+]=[N-])cc1F
InChIInChI=1S/C6H5FN4O/c1-12-6-5(7)2-4(3-9-6)10-11-8/h2-3H,1H3
InChIKeyGEACEGVUEKGPJX-UHFFFAOYSA-N
MW168.13 g/mol
LogP2.17
Rot. Bonds2

About 5-azido-3-fluoro-2-methoxypyridine

5-azido-3-fluoro-2-methoxypyridine (PubChem CID 142621204) has the molecular formula C6H5FN4O and a molecular weight of 168.13 g/mol. Its IUPAC name is 5-azido-3-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name5-azido-3-fluoro-2-methoxypyridine
PubChem CID142621204
Molecular FormulaC6H5FN4O
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Name5-azido-3-fluoro-2-methoxypyridine
SMILESCOc1ncc(N=[N+]=[N-])cc1F
InChIInChI=1S/C6H5FN4O/c1-12-6-5(7)2-4(3-9-6)10-11-8/h2-3H,1H3
InChIKeyGEACEGVUEKGPJX-UHFFFAOYSA-N
XLogP2.17
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 52.17
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 5-azido-3-fluoro-2-methoxypyridine?
The IUPAC name of 5-azido-3-fluoro-2-methoxypyridine (CID 142621204) is 5-azido-3-fluoro-2-methoxypyridine.
What is the SMILES notation for 5-azido-3-fluoro-2-methoxypyridine?
The canonical SMILES for 5-azido-3-fluoro-2-methoxypyridine is COc1ncc(N=[N+]=[N-])cc1F.
What is the InChIKey of 5-azido-3-fluoro-2-methoxypyridine?
The InChIKey is GEACEGVUEKGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O/c1-12-6-5(7)2-4(3-9-6)10-11-8/h2-3H,1H3.
What are the key properties of 5-azido-3-fluoro-2-methoxypyridine?
5-azido-3-fluoro-2-methoxypyridine has a molecular weight of 168.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-fluoro-2-methoxypyridine is sourced from PubChem (CID 142621204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).