4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol

C8H10ClN5O2 — CID 171880517

IUPAC4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H10ClN5O2/c9-7-2-1-5(12-13-7)8(16)6(15)3-4-11-14-10/h1-2,6,8,15-16H,3-4H2
InChIKeyPUYQDGWEDNDRBD-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.22
Rot. Bonds5

About 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol

4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol (PubChem CID 171880517) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
PubChem CID171880517
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Name4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H10ClN5O2/c9-7-2-1-5(12-13-7)8(16)6(15)3-4-11-14-10/h1-2,6,8,15-16H,3-4H2
InChIKeyPUYQDGWEDNDRBD-UHFFFAOYSA-N
XLogP1.22
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
CID 171879155
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
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
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171879183
1-(4-amino-2,6-dichlorophenyl)-4-azidobutane-1,2-diol
CID 171879542
4-azido-1-(2-chlorothiophen-3-yl)butane-1,2-diol
CID 171878862
4-azido-1-(4-chloro-3-hydroxyphenyl)butane-1,2-diol
CID 171879070
4-azido-1-(2-chloro-5-hydroxyphenyl)butane-1,2-diol
CID 171879057
4-azido-1-(5-chloro-2-hydroxyphenyl)butane-1,2-diol
CID 171879065

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol (CID 171880517) is 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol?
The InChIKey is PUYQDGWEDNDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-7-2-1-5(12-13-7)8(16)6(15)3-4-11-14-10/h1-2,6,8,15-16H,3-4H2.
What are the key properties of 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol?
4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol has a molecular weight of 243.65 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol is sourced from PubChem (CID 171880517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).