3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol

C7H8FN5O2 — CID 170825462

IUPAC3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnc(F)nc1
InChIInChI=1S/C7H8FN5O2/c8-7-10-1-4(2-11-7)6(15)5(14)3-12-13-9/h1-2,5-6,14-15H,3H2
InChIKeyCEEWTJBFODKRNT-UHFFFAOYSA-N
MW213.17 g/mol
LogP0.32
Rot. Bonds4

About 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol

3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol (PubChem CID 170825462) has the molecular formula C7H8FN5O2 and a molecular weight of 213.17 g/mol. Its IUPAC name is 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
PubChem CID170825462
Molecular FormulaC7H8FN5O2
Molecular Weight213.17 g/mol
Exact Mass213.07
IUPAC Name3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnc(F)nc1
InChIInChI=1S/C7H8FN5O2/c8-7-10-1-4(2-11-7)6(15)5(14)3-12-13-9/h1-2,5-6,14-15H,3H2
InChIKeyCEEWTJBFODKRNT-UHFFFAOYSA-N
XLogP0.32
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 50.32
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'}

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Related Compounds

4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
CID 170826178
3-azido-1-[3-fluoro-5-(hydroxymethyl)phenyl]propane-1,2-diol
CID 170825942
3-azido-1-(2,3,5,6-tetrafluorophenyl)propane-1,2-diol
CID 170826276
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol (CID 170825462) is 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1cnc(F)nc1.
What is the InChIKey of 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol?
The InChIKey is CEEWTJBFODKRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN5O2/c8-7-10-1-4(2-11-7)6(15)5(14)3-12-13-9/h1-2,5-6,14-15H,3H2.
What are the key properties of 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol?
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol has a molecular weight of 213.17 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol is sourced from PubChem (CID 170825462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).