(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate

C10H8BrNO4 — CID 2998811

IUPAC(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate
SMILESO=C(OC1CCOC1=O)c1cncc(Br)c1
InChIInChI=1S/C10H8BrNO4/c11-7-3-6(4-12-5-7)9(13)16-8-1-2-15-10(8)14/h3-5,8H,1-2H2
InChIKeyNMRVXPHRQQYTFD-UHFFFAOYSA-N
MW286.08 g/mol
LogP1.32
Rot. Bonds2

About (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate

(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate (PubChem CID 2998811) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate
PubChem CID2998811
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate
SMILESO=C(OC1CCOC1=O)c1cncc(Br)c1
InChIInChI=1S/C10H8BrNO4/c11-7-3-6(4-12-5-7)9(13)16-8-1-2-15-10(8)14/h3-5,8H,1-2H2
InChIKeyNMRVXPHRQQYTFD-UHFFFAOYSA-N
XLogP1.32
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate (CID 2998811) is (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate is O=C(OC1CCOC1=O)c1cncc(Br)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate?
The InChIKey is NMRVXPHRQQYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c11-7-3-6(4-12-5-7)9(13)16-8-1-2-15-10(8)14/h3-5,8H,1-2H2.
What are the key properties of (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate?
(2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate has a molecular weight of 286.08 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2998811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).