(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol

C15H22BrNO3 — CID 69166040

IUPAC(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
SMILESCCC(O)(c1ccc(Br)cn1)[C@H](C)OC1CCCCO1
InChIInChI=1S/C15H22BrNO3/c1-3-15(18,13-8-7-12(16)10-17-13)11(2)20-14-6-4-5-9-19-14/h7-8,10-11,14,18H,3-6,9H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyJPBWJTHZBOPHDG-QGLTVNCISA-N
MW344.25 g/mol
LogP3.37
Rot. Bonds5

About (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol

(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol (PubChem CID 69166040) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol.

Molecular Properties

Compound Name(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
PubChem CID69166040
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
SMILESCCC(O)(c1ccc(Br)cn1)[C@H](C)OC1CCCCO1
InChIInChI=1S/C15H22BrNO3/c1-3-15(18,13-8-7-12(16)10-17-13)11(2)20-14-6-4-5-9-19-14/h7-8,10-11,14,18H,3-6,9H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyJPBWJTHZBOPHDG-QGLTVNCISA-N
XLogP3.37
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-[1-(4-bromophenyl)sulfanylethoxy]oxane
CID 66808615
5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
CID 169267521
2-butan-2-yloxyoxane
CID 559028
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
2-[4-(4,4-dimethylhexan-3-yl)phenoxy]oxane
CID 123479898
2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18367686
3-[(4-bromophenyl)-(oxan-2-yloxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 129319621
2-(5-bromo-2-pyridinyl)-4-(oxan-2-yloxy)butanenitrile;2-(5-bromo-2-pyridinyl)-4-(oxan-2-yloxy)butanoic acid
CID 159439430
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
CID 10355007

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol?
The IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol (CID 69166040) is (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol.
What is the SMILES notation for (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol?
The canonical SMILES for (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol is CCC(O)(c1ccc(Br)cn1)[C@H](C)OC1CCCCO1.
What is the InChIKey of (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol?
The InChIKey is JPBWJTHZBOPHDG-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-3-15(18,13-8-7-12(16)10-17-13)11(2)20-14-6-4-5-9-19-14/h7-8,10-11,14,18H,3-6,9H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol?
(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol has a molecular weight of 344.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol is sourced from PubChem (CID 69166040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).