ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate

C11H14BrNO2 — CID 71742853

IUPACethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cncc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-4-15-10(14)11(2,3)8-5-9(12)7-13-6-8/h5-7H,4H2,1-3H3
InChIKeySIPAPXXHVNYVTN-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.68
Rot. Bonds3

About ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate

ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate (PubChem CID 71742853) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
PubChem CID71742853
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cncc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-4-15-10(14)11(2,3)8-5-9(12)7-13-6-8/h5-7H,4H2,1-3H3
InChIKeySIPAPXXHVNYVTN-UHFFFAOYSA-N
XLogP2.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl (3R)-3-amino-3-(5-bromo-3-pyridinyl)-2,2-difluoropropanoate;hydrochloride
CID 171239047
methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate
CID 51615677
3-bromo-5-(2-fluoropropan-2-yl)pyridine
CID 131618037
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
CID 59250866
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
CID 143018916
ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744
(4-bromo-2-ethylphenyl)methanamine;2-(bromomethyl)-5-(trifluoromethyl)furan;ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate;2-methylnaphthalene-1-carbonyl chloride;hydrochloride
CID 159938559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate (CID 71742853) is ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1cncc(Br)c1.
What is the InChIKey of ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate?
The InChIKey is SIPAPXXHVNYVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-4-15-10(14)11(2,3)8-5-9(12)7-13-6-8/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate?
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate has a molecular weight of 272.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 71742853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).