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

C11H15BrN2O2 — CID 79718546

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

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

methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate (PubChem CID 79718546) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
PubChem CID79718546
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Namemethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1ncc(Br)cc1C
InChIInChI=1S/C11H15BrN2O2/c1-4-14(7-10(15)16-3)11-8(2)5-9(12)6-13-11/h5-6H,4,7H2,1-3H3
InChIKeyHJKWDTHTCSJCNR-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 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
methyl 2-[(5-bromo-3-nitro-2-pyridinyl)-propylamino]acetate
CID 62005759
3-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]propanethioamide
CID 79712666
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
CID 80629627
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
2-[(5-bromo-3-nitro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 54985802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate (CID 79718546) is methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate is CCN(CC(=O)OC)c1ncc(Br)cc1C.
What is the InChIKey of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate?
The InChIKey is HJKWDTHTCSJCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-4-14(7-10(15)16-3)11-8(2)5-9(12)6-13-11/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate?
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]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 methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate is sourced from PubChem (CID 79718546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).