2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate

C11H11N2O4- — CID 7228435

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate
SMILESCOCc1cc(C)nc(OCC(=O)[O-])c1C#N
InChIInChI=1S/C11H12N2O4/c1-7-3-8(5-16-2)9(4-12)11(13-7)17-6-10(14)15/h3H,5-6H2,1-2H3,(H,14,15)/p-1
InChIKeyVYDSZOKEUUDMPG-UHFFFAOYSA-M
MW235.22 g/mol
LogP-0.46
Rot. Bonds5

About 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate (PubChem CID 7228435) has the molecular formula C11H11N2O4- and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate
PubChem CID7228435
Molecular FormulaC11H11N2O4-
Molecular Weight235.22 g/mol
Exact Mass235.07
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate
SMILESCOCc1cc(C)nc(OCC(=O)[O-])c1C#N
InChIInChI=1S/C11H12N2O4/c1-7-3-8(5-16-2)9(4-12)11(13-7)17-6-10(14)15/h3H,5-6H2,1-2H3,(H,14,15)/p-1
InChIKeyVYDSZOKEUUDMPG-UHFFFAOYSA-M
XLogP-0.46
TPSA95.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(4-methylphenyl)methylideneamino]acetamide
CID 1040222
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137171995
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]acetamide
CID 5440465
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 136752796
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 135549711
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 92847009
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135685347
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 5437217
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 4153277
N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 126012228
N-[(E)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 126009612
2-[4-[(E)-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide
CID 126072276

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate (CID 7228435) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate is COCc1cc(C)nc(OCC(=O)[O-])c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate?
The InChIKey is VYDSZOKEUUDMPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O4/c1-7-3-8(5-16-2)9(4-12)11(13-7)17-6-10(14)15/h3H,5-6H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate has a molecular weight of 235.22 g/mol, XLogP of -0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 7228435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).