(2S,3R)-1,2-dibromopentan-3-ol

C5H10Br2O — CID 14935814

IUPAC(2S,3R)-1,2-dibromopentan-3-ol
SMILESCC[C@@H](O)[C@H](Br)CBr
InChIInChI=1S/C5H10Br2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyCXEBEXABJMLJSW-RFZPGFLSSA-N
MW245.94 g/mol
LogP1.92
Rot. Bonds3

About (2S,3R)-1,2-dibromopentan-3-ol

(2S,3R)-1,2-dibromopentan-3-ol (PubChem CID 14935814) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is (2S,3R)-1,2-dibromopentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-1,2-dibromopentan-3-ol
PubChem CID14935814
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name(2S,3R)-1,2-dibromopentan-3-ol
SMILESCC[C@@H](O)[C@H](Br)CBr
InChIInChI=1S/C5H10Br2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyCXEBEXABJMLJSW-RFZPGFLSSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 51.92
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)-1,2-dibromopentan-3-ol?
The IUPAC name of (2S,3R)-1,2-dibromopentan-3-ol (CID 14935814) is (2S,3R)-1,2-dibromopentan-3-ol.
What is the SMILES notation for (2S,3R)-1,2-dibromopentan-3-ol?
The canonical SMILES for (2S,3R)-1,2-dibromopentan-3-ol is CC[C@@H](O)[C@H](Br)CBr.
What is the InChIKey of (2S,3R)-1,2-dibromopentan-3-ol?
The InChIKey is CXEBEXABJMLJSW-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (2S,3R)-1,2-dibromopentan-3-ol?
(2S,3R)-1,2-dibromopentan-3-ol has a molecular weight of 245.94 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2-dibromopentan-3-ol is sourced from PubChem (CID 14935814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).