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

C9H11BrN2O2 — CID 105366679

IUPACmethyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ncc(C)cc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6-3-7(10)9(11-4-6)12-5-8(13)14-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyXJKGMLMAGMUKCU-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.74
Rot. Bonds3

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

methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate (PubChem CID 105366679) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate
PubChem CID105366679
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Namemethyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ncc(C)cc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6-3-7(10)9(11-4-6)12-5-8(13)14-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyXJKGMLMAGMUKCU-UHFFFAOYSA-N
XLogP1.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate (CID 105366679) is methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate is COC(=O)CNc1ncc(C)cc1Br.
What is the InChIKey of methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate?
The InChIKey is XJKGMLMAGMUKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6-3-7(10)9(11-4-6)12-5-8(13)14-2/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate?
methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate has a molecular weight of 259.10 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-5-methyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 105366679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).