1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol

C10H13FN4O2 — CID 170826043

IUPAC1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
SMILESCc1cc(C(O)C(O)CN=[N+]=[N-])c(F)cc1N
InChIInChI=1S/C10H13FN4O2/c1-5-2-6(7(11)3-8(5)12)10(17)9(16)4-14-15-13/h2-3,9-10,16-17H,4,12H2,1H3
InChIKeyZHAZPCWWQSXVAF-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.42
Rot. Bonds4

About 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol

1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol (PubChem CID 170826043) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
PubChem CID170826043
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
SMILESCc1cc(C(O)C(O)CN=[N+]=[N-])c(F)cc1N
InChIInChI=1S/C10H13FN4O2/c1-5-2-6(7(11)3-8(5)12)10(17)9(16)4-14-15-13/h2-3,9-10,16-17H,4,12H2,1H3
InChIKeyZHAZPCWWQSXVAF-UHFFFAOYSA-N
XLogP1.42
TPSA115.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827269
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
CID 170825722
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
1-(2-amino-5-tert-butylphenyl)-3-azidopropane-1,2-diol
CID 170826678
1-(4-amino-2-chloro-3-fluorophenyl)-3-azidopropane-1,2-diol
CID 170826101
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
3-azido-1-(2,3,5,6-tetrafluorophenyl)propane-1,2-diol
CID 170826276
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol (CID 170826043) is 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol is Cc1cc(C(O)C(O)CN=[N+]=[N-])c(F)cc1N.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol?
The InChIKey is ZHAZPCWWQSXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-5-2-6(7(11)3-8(5)12)10(17)9(16)4-14-15-13/h2-3,9-10,16-17H,4,12H2,1H3.
What are the key properties of 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol?
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol has a molecular weight of 240.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170826043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).