3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol

C11H14FN3O4 — CID 170827269

IUPAC3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1cc(F)c(C(O)C(O)CN=[N+]=[N-])cc1OC
InChIInChI=1S/C11H14FN3O4/c1-18-9-3-6(7(12)4-10(9)19-2)11(17)8(16)5-14-15-13/h3-4,8,11,16-17H,5H2,1-2H3
InChIKeyQQEQNJFUXPSJNU-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.55
Rot. Bonds6

About 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol

3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol (PubChem CID 170827269) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
PubChem CID170827269
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1cc(F)c(C(O)C(O)CN=[N+]=[N-])cc1OC
InChIInChI=1S/C11H14FN3O4/c1-18-9-3-6(7(12)4-10(9)19-2)11(17)8(16)5-14-15-13/h3-4,8,11,16-17H,5H2,1-2H3
InChIKeyQQEQNJFUXPSJNU-UHFFFAOYSA-N
XLogP1.55
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170826906
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
3-azido-1-[5-(hydroxymethyl)-2-methoxyphenyl]propane-1,2-diol
CID 170826312
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 171863279
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
1-[3-(3-azido-1,2-dihydroxypropyl)-4-methoxyphenyl]ethanone
CID 170826582
3-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170827185
methyl 4-(3-azido-1,2-dihydroxypropyl)-3-methoxybenzoate
CID 170826908
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol (CID 170827269) is 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol is COc1cc(F)c(C(O)C(O)CN=[N+]=[N-])cc1OC.
What is the InChIKey of 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol?
The InChIKey is QQEQNJFUXPSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-18-9-3-6(7(12)4-10(9)19-2)11(17)8(16)5-14-15-13/h3-4,8,11,16-17H,5H2,1-2H3.
What are the key properties of 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol?
3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol has a molecular weight of 271.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 170827269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).