1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol

C9H13N5O2 — CID 171878923

IUPAC1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(N)cn1
InChIInChI=1S/C9H13N5O2/c10-6-1-2-7(12-5-6)9(16)8(15)3-4-13-14-11/h1-2,5,8-9,15-16H,3-4,10H2
InChIKeyQDAKRTJVNXFPEV-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.76
Rot. Bonds5

About 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol

1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol (PubChem CID 171878923) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
PubChem CID171878923
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(N)cn1
InChIInChI=1S/C9H13N5O2/c10-6-1-2-7(12-5-6)9(16)8(15)3-4-13-14-11/h1-2,5,8-9,15-16H,3-4,10H2
InChIKeyQDAKRTJVNXFPEV-UHFFFAOYSA-N
XLogP0.76
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.76
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'}

Analyze 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
CID 171880517
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
CID 171879155
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol?
The IUPAC name of 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol (CID 171878923) is 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ccc(N)cn1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol?
The InChIKey is QDAKRTJVNXFPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-6-1-2-7(12-5-6)9(16)8(15)3-4-13-14-11/h1-2,5,8-9,15-16H,3-4,10H2.
What are the key properties of 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol?
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol has a molecular weight of 223.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol is sourced from PubChem (CID 171878923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).