(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate

C12H13BrN2O3 — CID 2416732

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H13BrN2O3/c13-10-5-9(6-14-7-10)12(17)18-8-11(16)15-3-1-2-4-15/h5-7H,1-4,8H2
InChIKeyLEANDTJCPHSWLM-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.62
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate (PubChem CID 2416732) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
PubChem CID2416732
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H13BrN2O3/c13-10-5-9(6-14-7-10)12(17)18-8-11(16)15-3-1-2-4-15/h5-7H,1-4,8H2
InChIKeyLEANDTJCPHSWLM-UHFFFAOYSA-N
XLogP1.62
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nicametate
CID 71650
Methyl 5-bromopyridine-3-carboxylate
CID 699336
Ethyl 5-bromopyridine-3-carboxylate
CID 140785
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2097394
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2351060
[Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
CID 2386742
[2-(Tert-butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2411979
2-((2-Chlorobenzyl)amino)-2-oxoethyl 5-bromonicotinate
CID 2433735
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2453478
Ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
CID 2998450
(2-Oxooxolan-3-yl) 5-bromopyridine-3-carboxylate
CID 2998811
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3302352

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate (CID 2416732) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate is O=C(OCC(=O)N1CCCC1)c1cncc(Br)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate?
The InChIKey is LEANDTJCPHSWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-10-5-9(6-14-7-10)12(17)18-8-11(16)15-3-1-2-4-15/h5-7H,1-4,8H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate has a molecular weight of 313.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2416732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).