3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol

C10H11FN4O4 — CID 170826691

IUPAC3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol
SMILESCc1c(C(O)C(O)CN=[N+]=[N-])cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN4O4/c1-5-7(10(17)9(16)4-13-14-12)2-6(11)3-8(5)15(18)19/h2-3,9-10,16-17H,4H2,1H3
InChIKeyVZSFQEGWJDWPGX-UHFFFAOYSA-N
MW270.22 g/mol
LogP1.75
Rot. Bonds5

About 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol

3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol (PubChem CID 170826691) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol
PubChem CID170826691
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol
SMILESCc1c(C(O)C(O)CN=[N+]=[N-])cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN4O4/c1-5-7(10(17)9(16)4-13-14-12)2-6(11)3-8(5)15(18)19/h2-3,9-10,16-17H,4H2,1H3
InChIKeyVZSFQEGWJDWPGX-UHFFFAOYSA-N
XLogP1.75
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 51.75
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899844
3-azido-1-(3-fluoro-5-nitrophenyl)propane-1,2-diol
CID 170826462
methyl 5-(3-azido-1,2-dihydroxypropyl)-2-methyl-3-nitrobenzoate
CID 170827027
methyl 3-(3-azido-1,2-dihydroxypropyl)-2-methyl-5-nitrobenzoate
CID 170827028
3-azido-1-(2-methyl-6-nitrophenyl)propane-1,2-diol
CID 170826497
methyl 3-(5-fluoro-2-methyl-3-nitrophenyl)-2,3-dihydroxypropanoate
CID 171864724
5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
CID 170826420
3-azido-1-(2-chloro-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170826393
N-[4-(3-azido-1,2-dihydroxypropyl)-2-nitrophenyl]acetamide
CID 170826976
methyl 2-(3-azido-1,2-dihydroxypropyl)-5-nitrobenzoate
CID 170826983
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol (CID 170826691) is 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol is Cc1c(C(O)C(O)CN=[N+]=[N-])cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol?
The InChIKey is VZSFQEGWJDWPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O4/c1-5-7(10(17)9(16)4-13-14-12)2-6(11)3-8(5)15(18)19/h2-3,9-10,16-17H,4H2,1H3.
What are the key properties of 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol?
3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol has a molecular weight of 270.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol is sourced from PubChem (CID 170826691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).