(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

C10H12BrNO3 — CID 139054704

IUPAC(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2ccc(Br)nc2)C[C@@H]1O
InChIInChI=1S/C10H12BrNO3/c11-10-2-1-6(4-12-10)8-3-7(14)9(5-13)15-8/h1-2,4,7-9,13-14H,3,5H2/t7-,8-,9+/m0/s1
InChIKeySQDGHLRNBUFIOM-XHNCKOQMSA-N
MW274.11 g/mol
LogP1.03
Rot. Bonds2

About (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 139054704) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID139054704
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2ccc(Br)nc2)C[C@@H]1O
InChIInChI=1S/C10H12BrNO3/c11-10-2-1-6(4-12-10)8-3-7(14)9(5-13)15-8/h1-2,4,7-9,13-14H,3,5H2/t7-,8-,9+/m0/s1
InChIKeySQDGHLRNBUFIOM-XHNCKOQMSA-N
XLogP1.03
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.03
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-bromo-5-[(2R)-oxiran-2-yl]pyridine
CID 99981068
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59119117
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
2-bromo-5-(oxolan-2-yl)pyridine
CID 66521193

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (CID 139054704) is (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](c2ccc(Br)nc2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SQDGHLRNBUFIOM-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-10-2-1-6(4-12-10)8-3-7(14)9(5-13)15-8/h1-2,4,7-9,13-14H,3,5H2/t7-,8-,9+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 274.11 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 139054704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).