methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate

C15H14BrNO3 — CID 19366333

IUPACmethyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cccc(Br)n1
InChIInChI=1S/C15H14BrNO3/c1-19-15(18)9-11-5-2-3-6-12(11)10-20-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3
InChIKeyWZQMUVCNNHMHFG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate

methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate (PubChem CID 19366333) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
PubChem CID19366333
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Namemethyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cccc(Br)n1
InChIInChI=1S/C15H14BrNO3/c1-19-15(18)9-11-5-2-3-6-12(11)10-20-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3
InChIKeyWZQMUVCNNHMHFG-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.14
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-[2-[(6-bromo-2-pyridinyl)oxymethyl]-5-cyanophenyl]-2,2-difluoroacetate
CID 166136513
methyl 2-[2-[2-[2-[(6-bromo-2-pyridinyl)oxymethyl]-5-cyanophenyl]ethoxymethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CID 166136455
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
CID 166089636
N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
CID 166089312
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
CID 115460593
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate (CID 19366333) is methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate is COC(=O)Cc1ccccc1COc1cccc(Br)n1.
What is the InChIKey of methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate?
The InChIKey is WZQMUVCNNHMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-15(18)9-11-5-2-3-6-12(11)10-20-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate?
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate has a molecular weight of 336.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate is sourced from PubChem (CID 19366333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).