4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol

C9H11BrN4O2 — CID 171880522

IUPAC4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN4O2/c10-7-3-6(4-12-5-7)9(16)8(15)1-2-13-14-11/h3-5,8-9,15-16H,1-2H2
InChIKeyAJSPGFFBZLLWIZ-UHFFFAOYSA-N
MW287.12 g/mol
LogP1.94
Rot. Bonds5

About 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol

4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol (PubChem CID 171880522) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
PubChem CID171880522
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN4O2/c10-7-3-6(4-12-5-7)9(16)8(15)1-2-13-14-11/h3-5,8-9,15-16H,1-2H2
InChIKeyAJSPGFFBZLLWIZ-UHFFFAOYSA-N
XLogP1.94
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-pyridinyl)butane-1,2-diol
CID 171878967
1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579
4-azido-1-(3-bromophenyl)butane-1,2-diol
CID 171880515
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171879917
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-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
CID 171878849
4-azido-1-(4-bromo-3-fluorophenyl)butane-1,2-diol
CID 171880550
5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921
4-azido-1-(4-bromo-2-hydroxyphenyl)butane-1,2-diol
CID 171880557

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol (CID 171880522) is 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1cncc(Br)c1.
What is the InChIKey of 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol?
The InChIKey is AJSPGFFBZLLWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c10-7-3-6(4-12-5-7)9(16)8(15)1-2-13-14-11/h3-5,8-9,15-16H,1-2H2.
What are the key properties of 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol?
4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol has a molecular weight of 287.12 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).