5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine

C16H17FN4O — CID 134395651

IUPAC5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine
SMILESCO[C@H](c1ccc(-c2ccc(C)nc2)cc1)C(CF)N=[N+]=[N-]
InChIInChI=1S/C16H17FN4O/c1-11-3-4-14(10-19-11)12-5-7-13(8-6-12)16(22-2)15(9-17)20-21-18/h3-8,10,15-16H,9H2,1-2H3/t15?,16-/m1/s1
InChIKeyMWLNHLRKSWYQCF-OEMAIJDKSA-N
MW300.34 g/mol
LogP4.39
Rot. Bonds6

About 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine

5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine (PubChem CID 134395651) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine
PubChem CID134395651
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine
SMILESCO[C@H](c1ccc(-c2ccc(C)nc2)cc1)C(CF)N=[N+]=[N-]
InChIInChI=1S/C16H17FN4O/c1-11-3-4-14(10-19-11)12-5-7-13(8-6-12)16(22-2)15(9-17)20-21-18/h3-8,10,15-16H,9H2,1-2H3/t15?,16-/m1/s1
InChIKeyMWLNHLRKSWYQCF-OEMAIJDKSA-N
XLogP4.39
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.39
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-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine?
The IUPAC name of 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine (CID 134395651) is 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine.
What is the SMILES notation for 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine?
The canonical SMILES for 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine is CO[C@H](c1ccc(-c2ccc(C)nc2)cc1)C(CF)N=[N+]=[N-].
What is the InChIKey of 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine?
The InChIKey is MWLNHLRKSWYQCF-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11-3-4-14(10-19-11)12-5-7-13(8-6-12)16(22-2)15(9-17)20-21-18/h3-8,10,15-16H,9H2,1-2H3/t15?,16-/m1/s1.
What are the key properties of 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine?
5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine has a molecular weight of 300.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-methylpyridine is sourced from PubChem (CID 134395651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).