ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate

C10H12BrNO2 — CID 171029890

IUPACethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(C)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)6-9-8(11)5-4-7(2)12-9/h4-5H,3,6H2,1-2H3
InChIKeyNCOQSLRHBMUDJL-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.26
Rot. Bonds3

About ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate

ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate (PubChem CID 171029890) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
PubChem CID171029890
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(C)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)6-9-8(11)5-4-7(2)12-9/h4-5H,3,6H2,1-2H3
InChIKeyNCOQSLRHBMUDJL-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-[6-bromo-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097922
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate
CID 150760921
ethyl 2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134675354
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207
ethyl 2-(6-bromo-5-fluoro-2-pyridinyl)acetate
CID 133098158
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate (CID 171029890) is ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate is CCOC(=O)Cc1nc(C)ccc1Br.
What is the InChIKey of ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate?
The InChIKey is NCOQSLRHBMUDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-10(13)6-9-8(11)5-4-7(2)12-9/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate?
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate has a molecular weight of 258.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 171029890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).