ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate

C10H12BrNO3 — CID 164553275

IUPACethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nccc(C)c1Br
InChIInChI=1S/C10H12BrNO3/c1-3-14-8(13)6-15-10-9(11)7(2)4-5-12-10/h4-5H,3,6H2,1-2H3
InChIKeyKVXLZFNWVRPXNQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate

ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate (PubChem CID 164553275) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
PubChem CID164553275
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Nameethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nccc(C)c1Br
InChIInChI=1S/C10H12BrNO3/c1-3-14-8(13)6-15-10-9(11)7(2)4-5-12-10/h4-5H,3,6H2,1-2H3
InChIKeyKVXLZFNWVRPXNQ-UHFFFAOYSA-N
XLogP2.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136
ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
CID 130194329
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
ethyl 2-(2-amino-3-bromo-4-pyridinyl)acetate
CID 133098465
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
CID 86157030
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate (CID 164553275) is ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate is CCOC(=O)COc1nccc(C)c1Br.
What is the InChIKey of ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate?
The InChIKey is KVXLZFNWVRPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-14-8(13)6-15-10-9(11)7(2)4-5-12-10/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate?
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate has a molecular weight of 274.11 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 164553275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).