ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate

C12H16BrClN2O2 — CID 114838168

IUPACethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O2/c1-3-5-16(8-11(17)18-4-2)12-10(13)6-9(14)7-15-12/h6-7H,3-5,8H2,1-2H3
InChIKeyAZIZVTADFYHAOC-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate

ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate (PubChem CID 114838168) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
PubChem CID114838168
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Nameethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O2/c1-3-5-16(8-11(17)18-4-2)12-10(13)6-9(14)7-15-12/h6-7H,3-5,8H2,1-2H3
InChIKeyAZIZVTADFYHAOC-UHFFFAOYSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
CID 62006648
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
ethyl 2-[(5-methyl-4-nitro-2-pyridinyl)-propylamino]acetate
CID 83271526
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate (CID 114838168) is ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate is CCCN(CC(=O)OCC)c1ncc(Cl)cc1Br.
What is the InChIKey of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate?
The InChIKey is AZIZVTADFYHAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-3-5-16(8-11(17)18-4-2)12-10(13)6-9(14)7-15-12/h6-7H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate?
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate has a molecular weight of 335.63 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate is sourced from PubChem (CID 114838168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).