3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol

C8H10N4O3 — CID 170825528

IUPAC3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(O)cn1
InChIInChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-2-1-5(13)3-10-6/h1-3,7-8,13-15H,4H2
InChIKeyMJIKOAHNKIVBDS-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.49
Rot. Bonds4

About 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol

3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol (PubChem CID 170825528) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
PubChem CID170825528
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(O)cn1
InChIInChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-2-1-5(13)3-10-6/h1-3,7-8,13-15H,4H2
InChIKeyMJIKOAHNKIVBDS-UHFFFAOYSA-N
XLogP0.49
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.49
H-Bond Donors ≤ 53
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-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
CID 170826144
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
3-azido-1-(2-bromo-3-pyridinyl)propane-1,2-diol
CID 170827081
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
CID 170827435
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol (CID 170825528) is 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccc(O)cn1.
What is the InChIKey of 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol?
The InChIKey is MJIKOAHNKIVBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-2-1-5(13)3-10-6/h1-3,7-8,13-15H,4H2.
What are the key properties of 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol?
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol has a molecular weight of 210.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).