(2S,3R)-2-bromopentan-3-ol

C5H11BrO — CID 14935811

IUPAC(2S,3R)-2-bromopentan-3-ol
SMILESCC[C@@H](O)[C@H](C)Br
InChIInChI=1S/C5H11BrO/c1-3-5(7)4(2)6/h4-5,7H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyUUHLPMGCFYDROV-CRCLSJGQSA-N
MW167.05 g/mol
LogP1.54
Rot. Bonds2

About (2S,3R)-2-bromopentan-3-ol

(2S,3R)-2-bromopentan-3-ol (PubChem CID 14935811) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is (2S,3R)-2-bromopentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-bromopentan-3-ol
PubChem CID14935811
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name(2S,3R)-2-bromopentan-3-ol
SMILESCC[C@@H](O)[C@H](C)Br
InChIInChI=1S/C5H11BrO/c1-3-5(7)4(2)6/h4-5,7H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyUUHLPMGCFYDROV-CRCLSJGQSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-bromopentan-3-ol?
The IUPAC name of (2S,3R)-2-bromopentan-3-ol (CID 14935811) is (2S,3R)-2-bromopentan-3-ol.
What is the SMILES notation for (2S,3R)-2-bromopentan-3-ol?
The canonical SMILES for (2S,3R)-2-bromopentan-3-ol is CC[C@@H](O)[C@H](C)Br.
What is the InChIKey of (2S,3R)-2-bromopentan-3-ol?
The InChIKey is UUHLPMGCFYDROV-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11BrO/c1-3-5(7)4(2)6/h4-5,7H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-2-bromopentan-3-ol?
(2S,3R)-2-bromopentan-3-ol has a molecular weight of 167.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-bromopentan-3-ol is sourced from PubChem (CID 14935811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).