methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate

C8H9BrN2O2 — CID 130681822

IUPACmethyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(Br)c(N)n1
InChIInChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(9)8(10)11-5/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyAUALDCHYFBCJLI-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate

methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate (PubChem CID 130681822) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
PubChem CID130681822
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(Br)c(N)n1
InChIInChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(9)8(10)11-5/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyAUALDCHYFBCJLI-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-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-(1,2-thiazol-3-yl)acetate
CID 71352802
methyl 2-(6-bromo-3-methoxy-2-pyridinyl)acetate
CID 133098126
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate (CID 130681822) is methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate is COC(=O)Cc1ccc(Br)c(N)n1.
What is the InChIKey of methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate?
The InChIKey is AUALDCHYFBCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(9)8(10)11-5/h2-3H,4H2,1H3,(H2,10,11).
What are the key properties of methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate?
methyl 2-(6-amino-5-bromo-2-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-5-bromo-2-pyridinyl)acetate is sourced from PubChem (CID 130681822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).