3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol

C8H10BrNO3 — CID 20607341

IUPAC3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
SMILESOCC(O)COc1cccnc1Br
InChIInChI=1S/C8H10BrNO3/c9-8-7(2-1-3-10-8)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2
InChIKeyHFMGDFDVMCJFIS-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.58
Rot. Bonds4

About 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol

3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol (PubChem CID 20607341) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
PubChem CID20607341
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
SMILESOCC(O)COc1cccnc1Br
InChIInChI=1S/C8H10BrNO3/c9-8-7(2-1-3-10-8)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2
InChIKeyHFMGDFDVMCJFIS-UHFFFAOYSA-N
XLogP0.58
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
(1S)-2-[(2-bromo-3-pyridinyl)oxy]-1-(2,6-difluorophenyl)ethanamine
CID 129411190
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
CID 12529033
3-(1,2,3,4-tetrahydroquinolin-5-yloxy)propane-1,2-diol
CID 103045086
3-(5-amino-2-bromophenoxy)propane-1,2-diol
CID 103008699
2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol?
The IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol (CID 20607341) is 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol.
What is the SMILES notation for 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol?
The canonical SMILES for 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol is OCC(O)COc1cccnc1Br.
What is the InChIKey of 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol?
The InChIKey is HFMGDFDVMCJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c9-8-7(2-1-3-10-8)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2.
What are the key properties of 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol?
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol has a molecular weight of 248.08 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol is sourced from PubChem (CID 20607341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).