3-(5-bromopyridine-2-carbonyl)oxolan-2-one

C10H8BrNO3 — CID 5103830

IUPAC3-(5-bromopyridine-2-carbonyl)oxolan-2-one
SMILESO=C1OCCC1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrNO3/c11-6-1-2-8(12-5-6)9(13)7-3-4-15-10(7)14/h1-2,5,7H,3-4H2
InChIKeyQARSTYQTRSOIDO-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.59
Rot. Bonds2

About 3-(5-bromopyridine-2-carbonyl)oxolan-2-one

3-(5-bromopyridine-2-carbonyl)oxolan-2-one (PubChem CID 5103830) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-(5-bromopyridine-2-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name3-(5-bromopyridine-2-carbonyl)oxolan-2-one
PubChem CID5103830
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-(5-bromopyridine-2-carbonyl)oxolan-2-one
SMILESO=C1OCCC1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrNO3/c11-6-1-2-8(12-5-6)9(13)7-3-4-15-10(7)14/h1-2,5,7H,3-4H2
InChIKeyQARSTYQTRSOIDO-UHFFFAOYSA-N
XLogP1.59
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyridine-2-carbonyl)oxolan-2-one?
The IUPAC name of 3-(5-bromopyridine-2-carbonyl)oxolan-2-one (CID 5103830) is 3-(5-bromopyridine-2-carbonyl)oxolan-2-one.
What is the SMILES notation for 3-(5-bromopyridine-2-carbonyl)oxolan-2-one?
The canonical SMILES for 3-(5-bromopyridine-2-carbonyl)oxolan-2-one is O=C1OCCC1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromopyridine-2-carbonyl)oxolan-2-one?
The InChIKey is QARSTYQTRSOIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-6-1-2-8(12-5-6)9(13)7-3-4-15-10(7)14/h1-2,5,7H,3-4H2.
What are the key properties of 3-(5-bromopyridine-2-carbonyl)oxolan-2-one?
3-(5-bromopyridine-2-carbonyl)oxolan-2-one has a molecular weight of 270.08 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyridine-2-carbonyl)oxolan-2-one is sourced from PubChem (CID 5103830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).