(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol

C8H10BrNO2 — CID 106933139

IUPAC(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
SMILESC[C@H](O)COc1cncc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-6(11)5-12-8-2-7(9)3-10-4-8/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyCDVHDLBGHOTDMM-LURJTMIESA-N
MW232.08 g/mol
LogP1.60
Rot. Bonds3

About (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol

(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol (PubChem CID 106933139) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
PubChem CID106933139
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
SMILESC[C@H](O)COc1cncc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-6(11)5-12-8-2-7(9)3-10-4-8/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyCDVHDLBGHOTDMM-LURJTMIESA-N
XLogP1.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933138
1-[(5-bromo-3-pyridinyl)oxy]-3-(tert-butylamino)propan-2-ol
CID 115476145
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
3-bromo-5-(1-ethoxypropan-2-yloxy)pyridine
CID 103488077
2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide
CID 65013023
2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
CID 67097508
4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutanoic acid
CID 65248045
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044
(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
3-bromo-5-phenylmethoxypyridine
CID 15389198

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol (CID 106933139) is (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol is C[C@H](O)COc1cncc(Br)c1.
What is the InChIKey of (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol?
The InChIKey is CDVHDLBGHOTDMM-LURJTMIESA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-6(11)5-12-8-2-7(9)3-10-4-8/h2-4,6,11H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol?
(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol has a molecular weight of 232.08 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 106933139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).