3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol

C9H12N4O3 — CID 170825809

IUPAC3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
SMILESCc1ccc(O)c(C(O)C(O)CN=[N+]=[N-])n1
InChIInChI=1S/C9H12N4O3/c1-5-2-3-6(14)8(12-5)9(16)7(15)4-11-13-10/h2-3,7,9,14-16H,4H2,1H3
InChIKeyIRYLEWJEVVTLKS-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.80
Rot. Bonds4

About 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol

3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol (PubChem CID 170825809) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
PubChem CID170825809
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
SMILESCc1ccc(O)c(C(O)C(O)CN=[N+]=[N-])n1
InChIInChI=1S/C9H12N4O3/c1-5-2-3-6(14)8(12-5)9(16)7(15)4-11-13-10/h2-3,7,9,14-16H,4H2,1H3
InChIKeyIRYLEWJEVVTLKS-UHFFFAOYSA-N
XLogP0.80
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.80
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-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol
CID 171872087
1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825697
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol (CID 170825809) is 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol is Cc1ccc(O)c(C(O)C(O)CN=[N+]=[N-])n1.
What is the InChIKey of 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol?
The InChIKey is IRYLEWJEVVTLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5-2-3-6(14)8(12-5)9(16)7(15)4-11-13-10/h2-3,7,9,14-16H,4H2,1H3.
What are the key properties of 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol?
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol has a molecular weight of 224.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).