ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate

C11H12N2O2 — CID 133097335

IUPACethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C)ncc1C#N
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)5-9-4-8(2)13-7-10(9)6-12/h4,7H,3,5H2,1-2H3
InChIKeyBMIZHXLVCQLNJB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate

ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate (PubChem CID 133097335) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
PubChem CID133097335
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C)ncc1C#N
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)5-9-4-8(2)13-7-10(9)6-12/h4,7H,3,5H2,1-2H3
InChIKeyBMIZHXLVCQLNJB-UHFFFAOYSA-N
XLogP1.37
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 2-(2-cyano-5-hydroxy-4-methylphenyl)acetate
CID 134632229
ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
CID 133098447
ethyl 2-[4-(aminomethyl)-2-cyano-5-methylphenyl]acetate
CID 134652320
ethyl 2-(5-bromo-2-cyano-4-ethylphenyl)acetate
CID 134652496
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-(5-cyano-4-ethyl-2-methylphenyl)acetate
CID 134614240
ethyl 2-(4-bromo-5-cyano-3-pyridinyl)acetate
CID 133098215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate (CID 133097335) is ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate is CCOC(=O)Cc1cc(C)ncc1C#N.
What is the InChIKey of ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate?
The InChIKey is BMIZHXLVCQLNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-11(14)5-9-4-8(2)13-7-10(9)6-12/h4,7H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate?
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate is sourced from PubChem (CID 133097335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).