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

C8H9BrN4O2 — CID 170827435

IUPAC3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccncc1Br
InChIInChI=1S/C8H9BrN4O2/c9-6-3-11-2-1-5(6)8(15)7(14)4-12-13-10/h1-3,7-8,14-15H,4H2
InChIKeyKOGLCXRVLAGLRN-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.55
Rot. Bonds4

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

3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol (PubChem CID 170827435) has the molecular formula C8H9BrN4O2 and a molecular weight of 273.09 g/mol. Its IUPAC name is 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
PubChem CID170827435
Molecular FormulaC8H9BrN4O2
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccncc1Br
InChIInChI=1S/C8H9BrN4O2/c9-6-3-11-2-1-5(6)8(15)7(14)4-12-13-10/h1-3,7-8,14-15H,4H2
InChIKeyKOGLCXRVLAGLRN-UHFFFAOYSA-N
XLogP1.55
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.55
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

3-azido-1-(2-bromo-3-pyridinyl)propane-1,2-diol
CID 170827081
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-[4-bromo-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170827165
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol
CID 170826198
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
2-(3-azido-1,2-dihydroxypropyl)-4-chlorobenzaldehyde
CID 170825905

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol (CID 170827435) is 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccncc1Br.
What is the InChIKey of 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol?
The InChIKey is KOGLCXRVLAGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O2/c9-6-3-11-2-1-5(6)8(15)7(14)4-12-13-10/h1-3,7-8,14-15H,4H2.
What are the key properties of 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol?
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol has a molecular weight of 273.09 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).