oxolan-3-yl 6-bromopyridine-2-carboxylate

C10H10BrNO3 — CID 103890143

IUPACoxolan-3-yl 6-bromopyridine-2-carboxylate
SMILESO=C(OC1CCOC1)c1cccc(Br)n1
InChIInChI=1S/C10H10BrNO3/c11-9-3-1-2-8(12-9)10(13)15-7-4-5-14-6-7/h1-3,7H,4-6H2
InChIKeyQNIOZFJBSYZPIT-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.79
Rot. Bonds2

About oxolan-3-yl 6-bromopyridine-2-carboxylate

oxolan-3-yl 6-bromopyridine-2-carboxylate (PubChem CID 103890143) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is oxolan-3-yl 6-bromopyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 6-bromopyridine-2-carboxylate
PubChem CID103890143
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Nameoxolan-3-yl 6-bromopyridine-2-carboxylate
SMILESO=C(OC1CCOC1)c1cccc(Br)n1
InChIInChI=1S/C10H10BrNO3/c11-9-3-1-2-8(12-9)10(13)15-7-4-5-14-6-7/h1-3,7H,4-6H2
InChIKeyQNIOZFJBSYZPIT-UHFFFAOYSA-N
XLogP1.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 6-bromopyridine-2-carboxylate?
The IUPAC name of oxolan-3-yl 6-bromopyridine-2-carboxylate (CID 103890143) is oxolan-3-yl 6-bromopyridine-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 6-bromopyridine-2-carboxylate?
The canonical SMILES for oxolan-3-yl 6-bromopyridine-2-carboxylate is O=C(OC1CCOC1)c1cccc(Br)n1.
What is the InChIKey of oxolan-3-yl 6-bromopyridine-2-carboxylate?
The InChIKey is QNIOZFJBSYZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-9-3-1-2-8(12-9)10(13)15-7-4-5-14-6-7/h1-3,7H,4-6H2.
What are the key properties of oxolan-3-yl 6-bromopyridine-2-carboxylate?
oxolan-3-yl 6-bromopyridine-2-carboxylate has a molecular weight of 272.10 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 6-bromopyridine-2-carboxylate is sourced from PubChem (CID 103890143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).