3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol

C8H9Br2NO2 — CID 171861041

IUPAC3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
SMILESOC(CBr)C(O)c1ccc(Br)cn1
InChIInChI=1S/C8H9Br2NO2/c9-3-7(12)8(13)6-2-1-5(10)4-11-6/h1-2,4,7-8,12-13H,3H2
InChIKeyYQZSOYXBLAVUQG-UHFFFAOYSA-N
MW310.97 g/mol
LogP1.63
Rot. Bonds3

About 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol

3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol (PubChem CID 171861041) has the molecular formula C8H9Br2NO2 and a molecular weight of 310.97 g/mol. Its IUPAC name is 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
PubChem CID171861041
Molecular FormulaC8H9Br2NO2
Molecular Weight310.97 g/mol
Exact Mass308.90
IUPAC Name3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
SMILESOC(CBr)C(O)c1ccc(Br)cn1
InChIInChI=1S/C8H9Br2NO2/c9-3-7(12)8(13)6-2-1-5(10)4-11-6/h1-2,4,7-8,12-13H,3H2
InChIKeyYQZSOYXBLAVUQG-UHFFFAOYSA-N
XLogP1.63
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.97
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
CID 107892788
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
tert-butyl N-[3-(5-bromo-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833174
3-bromo-1-pyrazin-2-ylpropane-1,2-diol
CID 171859387
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
sodium (5-bromo-2-pyridinyl)-hydroxymethanesulfonate
CID 103574332
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol (CID 171861041) is 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol is OC(CBr)C(O)c1ccc(Br)cn1.
What is the InChIKey of 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol?
The InChIKey is YQZSOYXBLAVUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2/c9-3-7(12)8(13)6-2-1-5(10)4-11-6/h1-2,4,7-8,12-13H,3H2.
What are the key properties of 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol?
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol has a molecular weight of 310.97 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171861041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).