methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate

C8H9BrN2O2 — CID 130631453

IUPACmethyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cnc(N)cc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)2-5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyIMZKHEKUFYSKAT-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate

methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate (PubChem CID 130631453) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
PubChem CID130631453
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cnc(N)cc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)2-5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyIMZKHEKUFYSKAT-UHFFFAOYSA-N
XLogP1.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
methyl 2-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097941
methyl 2-(3-amino-2,5-dibromophenyl)acetate
CID 131482485
methyl 2-[2,5-dibromo-4-(methylperoxymethyl)phenyl]acetate
CID 88955233

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate (CID 130631453) is methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate is COC(=O)Cc1cnc(N)cc1Br.
What is the InChIKey of methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate?
The InChIKey is IMZKHEKUFYSKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-8(12)2-5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate?
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate has a molecular weight of 245.08 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate is sourced from PubChem (CID 130631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).