2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine

C14H14FN5O — CID 59154849

IUPAC2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine
SMILESCO[C@H](c1ccc(-c2cnccn2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C14H14FN5O/c1-21-14(12(8-15)19-20-16)11-4-2-10(3-5-11)13-9-17-6-7-18-13/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1
InChIKeyFJZINZBEGAPEJU-TZMCWYRMSA-N
MW287.30 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine

2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine (PubChem CID 59154849) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine
PubChem CID59154849
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine
SMILESCO[C@H](c1ccc(-c2cnccn2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C14H14FN5O/c1-21-14(12(8-15)19-20-16)11-4-2-10(3-5-11)13-9-17-6-7-18-13/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1
InChIKeyFJZINZBEGAPEJU-TZMCWYRMSA-N
XLogP3.48
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine?
The IUPAC name of 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine (CID 59154849) is 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine.
What is the SMILES notation for 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine?
The canonical SMILES for 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine is CO[C@H](c1ccc(-c2cnccn2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine?
The InChIKey is FJZINZBEGAPEJU-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-21-14(12(8-15)19-20-16)11-4-2-10(3-5-11)13-9-17-6-7-18-13/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1.
What are the key properties of 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine?
2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine has a molecular weight of 287.30 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrazine is sourced from PubChem (CID 59154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).