4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol

C9H12N4O3 — CID 171878971

IUPAC4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(O)cn1
InChIInChI=1S/C9H12N4O3/c10-13-12-4-3-8(15)9(16)7-2-1-6(14)5-11-7/h1-2,5,8-9,14-16H,3-4H2
InChIKeyBEFGYRDZGPYQMO-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.88
Rot. Bonds5

About 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol

4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol (PubChem CID 171878971) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
PubChem CID171878971
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(O)cn1
InChIInChI=1S/C9H12N4O3/c10-13-12-4-3-8(15)9(16)7-2-1-6(14)5-11-7/h1-2,5,8-9,14-16H,3-4H2
InChIKeyBEFGYRDZGPYQMO-UHFFFAOYSA-N
XLogP0.88
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.88
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

3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
CID 171880517
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
CID 171879155
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
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
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
4-azido-1-(2-chloro-5-hydroxyphenyl)butane-1,2-diol
CID 171879057
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol (CID 171878971) is 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ccc(O)cn1.
What is the InChIKey of 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol?
The InChIKey is BEFGYRDZGPYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-13-12-4-3-8(15)9(16)7-2-1-6(14)5-11-7/h1-2,5,8-9,14-16H,3-4H2.
What are the key properties of 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol?
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol has a molecular weight of 224.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171878971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).