methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate

C9H8N2O3 — CID 10726395

IUPACmethyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)n(C)c(=O)c1
InChIInChI=1S/C9H8N2O3/c1-11-7(5-10)3-6(4-8(11)12)9(13)14-2/h3-4H,1-2H3
InChIKeyRLXIDKADVZIYEL-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.04
Rot. Bonds1

About methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate

methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate (PubChem CID 10726395) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate
PubChem CID10726395
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)n(C)c(=O)c1
InChIInChI=1S/C9H8N2O3/c1-11-7(5-10)3-6(4-8(11)12)9(13)14-2/h3-4H,1-2H3
InChIKeyRLXIDKADVZIYEL-UHFFFAOYSA-N
XLogP0.04
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate?
The IUPAC name of methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate (CID 10726395) is methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate is COC(=O)c1cc(C#N)n(C)c(=O)c1.
What is the InChIKey of methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate?
The InChIKey is RLXIDKADVZIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-7(5-10)3-6(4-8(11)12)9(13)14-2/h3-4H,1-2H3.
What are the key properties of methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate?
methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-1-methyl-6-oxopyridine-4-carboxylate is sourced from PubChem (CID 10726395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).