ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate

C11H15BrN2O2 — CID 79718647

IUPACethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncc(Br)cc1C
InChIInChI=1S/C11H15BrN2O2/c1-4-16-10(15)7-14(3)11-8(2)5-9(12)6-13-11/h5-6H,4,7H2,1-3H3
InChIKeyKHUKYBWBWZVGIP-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate

ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate (PubChem CID 79718647) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
PubChem CID79718647
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nameethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncc(Br)cc1C
InChIInChI=1S/C11H15BrN2O2/c1-4-16-10(15)7-14(3)11-8(2)5-9(12)6-13-11/h5-6H,4,7H2,1-3H3
InChIKeyKHUKYBWBWZVGIP-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
ethyl 2-[[5-bromo-2-(dimethylamino)-3-pyridinyl]-formylamino]acetate
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2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
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ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
ethyl 2-(4-bromo-N-methylanilino)acetate
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ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
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ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
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ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate (CID 79718647) is ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate is CCOC(=O)CN(C)c1ncc(Br)cc1C.
What is the InChIKey of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate?
The InChIKey is KHUKYBWBWZVGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-4-16-10(15)7-14(3)11-8(2)5-9(12)6-13-11/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate?
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate has a molecular weight of 287.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 79718647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).