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

C9H13N5O2 — CID 171878924

IUPAC1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccnc(N)c1
InChIInChI=1S/C9H13N5O2/c10-8-5-6(1-3-12-8)9(16)7(15)2-4-13-14-11/h1,3,5,7,9,15-16H,2,4H2,(H2,10,12)
InChIKeyPCJKXDRDWUSOLB-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.76
Rot. Bonds5

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

1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol (PubChem CID 171878924) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
PubChem CID171878924
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccnc(N)c1
InChIInChI=1S/C9H13N5O2/c10-8-5-6(1-3-12-8)9(16)7(15)2-4-13-14-11/h1,3,5,7,9,15-16H,2,4H2,(H2,10,12)
InChIKeyPCJKXDRDWUSOLB-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-(2-amino-4-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-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
1-(4-amino-3-hydroxyphenyl)-4-azidobutane-1,2-diol
CID 171879233
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
2-amino-5-(4-azido-1,2-dihydroxybutyl)benzoic acid
CID 171879916
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
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
4-azido-1-(4-chloro-3-hydroxyphenyl)butane-1,2-diol
CID 171879070
4-azido-1-(3-bromophenyl)butane-1,2-diol
CID 171880515
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol (CID 171878924) is 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol?
The InChIKey is PCJKXDRDWUSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8-5-6(1-3-12-8)9(16)7(15)2-4-13-14-11/h1,3,5,7,9,15-16H,2,4H2,(H2,10,12).
What are the key properties of 1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol?
1-(2-amino-4-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-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol is sourced from PubChem (CID 171878924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).