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

C9H10BrNO3 — CID 133098094

IUPACmethyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(OC)c(Br)n1
InChIInChI=1S/C9H10BrNO3/c1-13-7-4-3-6(11-9(7)10)5-8(12)14-2/h3-4H,5H2,1-2H3
InChIKeyBONDMCZBLVSFBA-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.57
Rot. Bonds3

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

methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate (PubChem CID 133098094) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
PubChem CID133098094
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(OC)c(Br)n1
InChIInChI=1S/C9H10BrNO3/c1-13-7-4-3-6(11-9(7)10)5-8(12)14-2/h3-4H,5H2,1-2H3
InChIKeyBONDMCZBLVSFBA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-bromo-3-methoxy-2-pyridinyl)acetate
CID 133098126
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
CID 133096473
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134675916
methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
CID 171776280
methyl 2-(1,2-thiazol-3-yl)acetate
CID 71352802
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
ethyl 2-(6-bromo-5-fluoro-2-pyridinyl)acetate
CID 133098158
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate (CID 133098094) is methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate is COC(=O)Cc1ccc(OC)c(Br)n1.
What is the InChIKey of methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate?
The InChIKey is BONDMCZBLVSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-7-4-3-6(11-9(7)10)5-8(12)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate?
methyl 2-(6-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-(6-bromo-5-methoxy-2-pyridinyl)acetate is sourced from PubChem (CID 133098094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).