3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol

C10H12FN3O3 — CID 170827247

IUPAC3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
SMILESCOc1cccc(C(O)C(O)CN=[N+]=[N-])c1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-2-3-6(9(8)11)10(16)7(15)5-13-14-12/h2-4,7,10,15-16H,5H2,1H3
InChIKeyGQGFCJIFNVESCZ-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.54
Rot. Bonds5

About 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol

3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol (PubChem CID 170827247) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
PubChem CID170827247
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
SMILESCOc1cccc(C(O)C(O)CN=[N+]=[N-])c1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-2-3-6(9(8)11)10(16)7(15)5-13-14-12/h2-4,7,10,15-16H,5H2,1H3
InChIKeyGQGFCJIFNVESCZ-UHFFFAOYSA-N
XLogP1.54
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
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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Related Compounds

1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827269
3-azido-1-[5-(hydroxymethyl)-2-methoxyphenyl]propane-1,2-diol
CID 170826312
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-[3-(3-azido-1,2-dihydroxypropyl)-4-methoxyphenyl]ethanone
CID 170826582
2-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170826906
methyl 4-(3-azido-1,2-dihydroxypropyl)-3-methoxybenzoate
CID 170826908
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-(4-amino-2-chloro-3-fluorophenyl)-3-azidopropane-1,2-diol
CID 170826101

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol (CID 170827247) is 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol is COc1cccc(C(O)C(O)CN=[N+]=[N-])c1F.
What is the InChIKey of 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The InChIKey is GQGFCJIFNVESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-17-8-4-2-3-6(9(8)11)10(16)7(15)5-13-14-12/h2-4,7,10,15-16H,5H2,1H3.
What are the key properties of 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol has a molecular weight of 241.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 170827247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).