ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate

C10H12N2O3 — CID 6821888

IUPACethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(C)C(=CN=O)C=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-9(6-11-14)12(2)7-8/h4-7H,3H2,1-2H3
InChIKeyAFEZZUWJUBBMEY-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.54
Rot. Bonds3

About ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate

ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate (PubChem CID 6821888) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate
PubChem CID6821888
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(C)C(=CN=O)C=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-9(6-11-14)12(2)7-8/h4-7H,3H2,1-2H3
InChIKeyAFEZZUWJUBBMEY-UHFFFAOYSA-N
XLogP1.54
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate (CID 6821888) is ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate is CCOC(=O)C1=CN(C)C(=CN=O)C=C1.
What is the InChIKey of ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate?
The InChIKey is AFEZZUWJUBBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-9(6-11-14)12(2)7-8/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate?
ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate is sourced from PubChem (CID 6821888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).