4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol

C10H14N4O3 — CID 171879244

IUPAC4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cc(CO)ccn1
InChIInChI=1S/C10H14N4O3/c11-14-13-4-2-9(16)10(17)8-5-7(6-15)1-3-12-8/h1,3,5,9-10,15-17H,2,4,6H2
InChIKeyRBSOKSZMPZXQAC-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.67
Rot. Bonds6

About 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol

4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol (PubChem CID 171879244) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
PubChem CID171879244
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cc(CO)ccn1
InChIInChI=1S/C10H14N4O3/c11-14-13-4-2-9(16)10(17)8-5-7(6-15)1-3-12-8/h1,3,5,9-10,15-17H,2,4,6H2
InChIKeyRBSOKSZMPZXQAC-UHFFFAOYSA-N
XLogP0.67
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.67
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

1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
CID 171880517
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol
CID 171878964
4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
CID 171879155
4-azido-1-[3-fluoro-5-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171879385
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880561

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol?
The IUPAC name of 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol (CID 171879244) is 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol.
What is the SMILES notation for 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol?
The canonical SMILES for 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1cc(CO)ccn1.
What is the InChIKey of 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol?
The InChIKey is RBSOKSZMPZXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-14-13-4-2-9(16)10(17)8-5-7(6-15)1-3-12-8/h1,3,5,9-10,15-17H,2,4,6H2.
What are the key properties of 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol?
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol has a molecular weight of 238.25 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol is sourced from PubChem (CID 171879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).