3-bromo-1-pyrazin-2-ylpropane-1,2-diol

C7H9BrN2O2 — CID 171859387

IUPAC3-bromo-1-pyrazin-2-ylpropane-1,2-diol
SMILESOC(CBr)C(O)c1cnccn1
InChIInChI=1S/C7H9BrN2O2/c8-3-6(11)7(12)5-4-9-1-2-10-5/h1-2,4,6-7,11-12H,3H2
InChIKeyZYYIYVWYPWPONI-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.27
Rot. Bonds3

About 3-bromo-1-pyrazin-2-ylpropane-1,2-diol

3-bromo-1-pyrazin-2-ylpropane-1,2-diol (PubChem CID 171859387) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 3-bromo-1-pyrazin-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-bromo-1-pyrazin-2-ylpropane-1,2-diol
PubChem CID171859387
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name3-bromo-1-pyrazin-2-ylpropane-1,2-diol
SMILESOC(CBr)C(O)c1cnccn1
InChIInChI=1S/C7H9BrN2O2/c8-3-6(11)7(12)5-4-9-1-2-10-5/h1-2,4,6-7,11-12H,3H2
InChIKeyZYYIYVWYPWPONI-UHFFFAOYSA-N
XLogP0.27
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
CID 171889622
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
1-pyrazin-2-ylprop-2-yn-1-ol
CID 130171254
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
pyrazin-2-ylmethanedithiol
CID 90963119

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-pyrazin-2-ylpropane-1,2-diol?
The IUPAC name of 3-bromo-1-pyrazin-2-ylpropane-1,2-diol (CID 171859387) is 3-bromo-1-pyrazin-2-ylpropane-1,2-diol.
What is the SMILES notation for 3-bromo-1-pyrazin-2-ylpropane-1,2-diol?
The canonical SMILES for 3-bromo-1-pyrazin-2-ylpropane-1,2-diol is OC(CBr)C(O)c1cnccn1.
What is the InChIKey of 3-bromo-1-pyrazin-2-ylpropane-1,2-diol?
The InChIKey is ZYYIYVWYPWPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-3-6(11)7(12)5-4-9-1-2-10-5/h1-2,4,6-7,11-12H,3H2.
What are the key properties of 3-bromo-1-pyrazin-2-ylpropane-1,2-diol?
3-bromo-1-pyrazin-2-ylpropane-1,2-diol has a molecular weight of 233.06 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-pyrazin-2-ylpropane-1,2-diol is sourced from PubChem (CID 171859387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).