(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid

C10H10BrNO3 — CID 122155803

IUPAC(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C10H10BrNO3/c11-7-3-6(4-12-5-7)9-8(10(13)14)1-2-15-9/h3-5,8-9H,1-2H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyNHZNPAYDTGNYOJ-BDAKNGLRSA-N
MW272.10 g/mol
LogP2.01
Rot. Bonds2

About (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid

(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid (PubChem CID 122155803) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid
PubChem CID122155803
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C10H10BrNO3/c11-7-3-6(4-12-5-7)9-8(10(13)14)1-2-15-9/h3-5,8-9H,1-2H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyNHZNPAYDTGNYOJ-BDAKNGLRSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid (CID 122155803) is (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid is O=C(O)[C@@H]1CCO[C@H]1c1cncc(Br)c1.
What is the InChIKey of (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid?
The InChIKey is NHZNPAYDTGNYOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-3-6(4-12-5-7)9-8(10(13)14)1-2-15-9/h3-5,8-9H,1-2H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid?
(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid has a molecular weight of 272.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 122155803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).