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

C9H12N4O3 — CID 170825798

IUPAC3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
SMILESCOc1cncc(C(O)C(O)CN=[N+]=[N-])c1
InChIInChI=1S/C9H12N4O3/c1-16-7-2-6(3-11-4-7)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3
InChIKeyAOEICETVMSNPIW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.79
Rot. Bonds5

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

3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol (PubChem CID 170825798) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
PubChem CID170825798
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
SMILESCOc1cncc(C(O)C(O)CN=[N+]=[N-])c1
InChIInChI=1S/C9H12N4O3/c1-16-7-2-6(3-11-4-7)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3
InChIKeyAOEICETVMSNPIW-UHFFFAOYSA-N
XLogP0.79
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.79
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

3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171879917
3-azido-1-(3-iodo-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827268
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
4-azido-1-(5-hydroxy-3-pyridinyl)butane-1,2-diol
CID 171878967
4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
CID 171880522
1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol (CID 170825798) is 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol is COc1cncc(C(O)C(O)CN=[N+]=[N-])c1.
What is the InChIKey of 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol?
The InChIKey is AOEICETVMSNPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-7-2-6(3-11-4-7)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3.
What are the key properties of 3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol?
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol has a molecular weight of 224.22 g/mol, XLogP of 0.79, 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-methoxy-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).