4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol

C10H11F2N3O3 — CID 171879424

IUPAC4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C10H11F2N3O3/c11-6-3-5(16)4-7(12)9(6)10(18)8(17)1-2-14-15-13/h3-4,8,10,16-18H,1-2H2
InChIKeyLAQSKSVQMFRLRJ-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.77
Rot. Bonds5

About 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol

4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol (PubChem CID 171879424) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol
PubChem CID171879424
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C10H11F2N3O3/c11-6-3-5(16)4-7(12)9(6)10(18)8(17)1-2-14-15-13/h3-4,8,10,16-18H,1-2H2
InChIKeyLAQSKSVQMFRLRJ-UHFFFAOYSA-N
XLogP1.77
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.77
H-Bond Donors ≤ 53
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

4-azido-1-(2,3,5,6-tetrafluorophenyl)butane-1,2-diol
CID 171879720
4-azido-1-(2,4-dibromo-6-fluorophenyl)butane-1,2-diol
CID 171880581
1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872259
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103
1-(4-amino-2,6-dichlorophenyl)-4-azidobutane-1,2-diol
CID 171879542
4-azido-1-(4-chloro-3,5-difluorophenyl)butane-1,2-diol
CID 171879291
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
4-azido-1-(4-bromo-3-fluorophenyl)butane-1,2-diol
CID 171880550
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
4-azido-1-(5-hydroxy-3-pyridinyl)butane-1,2-diol
CID 171878967
3-(4-azido-1,2-dihydroxybutyl)-4-fluorobenzonitrile
CID 171879488
4-azido-1-(2-chloro-5-hydroxyphenyl)butane-1,2-diol
CID 171879057

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol (CID 171879424) is 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1c(F)cc(O)cc1F.
What is the InChIKey of 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol?
The InChIKey is LAQSKSVQMFRLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-6-3-5(16)4-7(12)9(6)10(18)8(17)1-2-14-15-13/h3-4,8,10,16-18H,1-2H2.
What are the key properties of 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol?
4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol has a molecular weight of 259.21 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol is sourced from PubChem (CID 171879424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).