ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate

C15H24BrNO3 — CID 156728590

IUPACethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCC.CCOC(=O)C(CC(C)C)n1cc(Br)ccc1=O
InChIInChI=1S/C13H18BrNO3.C2H6/c1-4-18-13(17)11(7-9(2)3)15-8-10(14)5-6-12(15)16;1-2/h5-6,8-9,11H,4,7H2,1-3H3;1-2H3
InChIKeyMJONWMATPXMCBR-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.79
Rot. Bonds5

About ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate

ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate (PubChem CID 156728590) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate
PubChem CID156728590
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Nameethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCC.CCOC(=O)C(CC(C)C)n1cc(Br)ccc1=O
InChIInChI=1S/C13H18BrNO3.C2H6/c1-4-18-13(17)11(7-9(2)3)15-8-10(14)5-6-12(15)16;1-2/h5-6,8-9,11H,4,7H2,1-3H3;1-2H3
InChIKeyMJONWMATPXMCBR-UHFFFAOYSA-N
XLogP3.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ethyl 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 139579791
2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781100
ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
CID 146183465
ethyl (2S)-2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]oxypropanoate
CID 75494413
lithium;ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 162037650
5-bromo-3-fluoro-1H-pyridin-2-one;ethyl 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate;ethyl 2,4-dimethylpentanoate
CID 165092609
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one
CID 58070322
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
ethyl 2-(5-bromoindol-1-yl)pentanoate
CID 113345781
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
CID 159653011

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate?
The IUPAC name of ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate (CID 156728590) is ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate.
What is the SMILES notation for ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate?
The canonical SMILES for ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate is CC.CCOC(=O)C(CC(C)C)n1cc(Br)ccc1=O.
What is the InChIKey of ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate?
The InChIKey is MJONWMATPXMCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3.C2H6/c1-4-18-13(17)11(7-9(2)3)15-8-10(14)5-6-12(15)16;1-2/h5-6,8-9,11H,4,7H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate?
ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate has a molecular weight of 346.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate is sourced from PubChem (CID 156728590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).