3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine

C16H19FN4O2 — CID 71206868

IUPAC3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C16H19FN4O2/c1-11-3-4-14(10-21(11)22)12-5-7-13(8-6-12)16(23-2)15(9-17)19-20-18/h3-8,15-16,22H,9-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyYRIYKVLGYWXUDP-HZPDHXFCSA-N
MW318.35 g/mol
LogP4.01
Rot. Bonds6

About 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine

3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine (PubChem CID 71206868) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine.

Molecular Properties

Compound Name3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
PubChem CID71206868
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C16H19FN4O2/c1-11-3-4-14(10-21(11)22)12-5-7-13(8-6-12)16(23-2)15(9-17)19-20-18/h3-8,15-16,22H,9-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyYRIYKVLGYWXUDP-HZPDHXFCSA-N
XLogP4.01
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The IUPAC name of 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine (CID 71206868) is 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine.
What is the SMILES notation for 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The canonical SMILES for 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine is CO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The InChIKey is YRIYKVLGYWXUDP-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-3-4-14(10-21(11)22)12-5-7-13(8-6-12)16(23-2)15(9-17)19-20-18/h3-8,15-16,22H,9-10H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine has a molecular weight of 318.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine is sourced from PubChem (CID 71206868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).