ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate

C11H12N2O3 — CID 118104999

IUPACethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(OC)nc1
InChIInChI=1S/C11H12N2O3/c1-3-16-11(14)9(6-12)8-4-5-10(15-2)13-7-8/h4-5,7,9H,3H2,1-2H3
InChIKeySLHSKLSVDKLDJC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.26
Rot. Bonds4

About ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate

ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate (PubChem CID 118104999) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
PubChem CID118104999
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(OC)nc1
InChIInChI=1S/C11H12N2O3/c1-3-16-11(14)9(6-12)8-4-5-10(15-2)13-7-8/h4-5,7,9H,3H2,1-2H3
InChIKeySLHSKLSVDKLDJC-UHFFFAOYSA-N
XLogP1.26
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)acetate
CID 104571398
ethyl 3-(6-methoxy-3-pyridinyl)-4-(methylamino)-4-sulfanylidenebutanoate
CID 134510820
methyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3-ethylsulfanylpyridine-2-carboxylate
CID 134466850
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
ethane;ethyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate
CID 142348206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate (CID 118104999) is ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate is CCOC(=O)C(C#N)c1ccc(OC)nc1.
What is the InChIKey of ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate?
The InChIKey is SLHSKLSVDKLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-11(14)9(6-12)8-4-5-10(15-2)13-7-8/h4-5,7,9H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate?
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate has a molecular weight of 220.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate is sourced from PubChem (CID 118104999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).