methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate

C9H10BrNO3 — CID 133098119

IUPACmethyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncc(OC)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-13-6-3-7(10)8(11-5-6)4-9(12)14-2/h3,5H,4H2,1-2H3
InChIKeyVOKQZSKZUUXTFZ-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate

methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate (PubChem CID 133098119) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
PubChem CID133098119
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncc(OC)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-13-6-3-7(10)8(11-5-6)4-9(12)14-2/h3,5H,4H2,1-2H3
InChIKeyVOKQZSKZUUXTFZ-UHFFFAOYSA-N
XLogP1.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097191
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156
2-bromo-3-ethyl-5-methoxypyridine
CID 133058032
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate (CID 133098119) is methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate is COC(=O)Cc1ncc(OC)cc1Br.
What is the InChIKey of methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate?
The InChIKey is VOKQZSKZUUXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-6-3-7(10)8(11-5-6)4-9(12)14-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate?
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate has a molecular weight of 260.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate is sourced from PubChem (CID 133098119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).