ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate

C10H12N2O3 — CID 167440087

IUPACethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=C(C#N)C(O)NC(C)=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,9,12-13H,3H2,1-2H3
InChIKeyNECLPWTXQSLKTL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.20
Rot. Bonds2

About ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate

ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate (PubChem CID 167440087) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate
PubChem CID167440087
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=C(C#N)C(O)NC(C)=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,9,12-13H,3H2,1-2H3
InChIKeyNECLPWTXQSLKTL-UHFFFAOYSA-N
XLogP0.20
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-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

Related Compounds

ethyl 3-amino-2-chloro-6-methyl-1,2-dihydropyridine-4-carboxylate
CID 177020997
ethyl 5-cyano-4-cycloheptyl-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 19374805
ethyl 6-amino-5-cyano-4-ethyl-2-methyl-4H-pyran-3-carboxylate
CID 15396822
ethyl (4S)-6-amino-5-cyano-2,4-bis(4-methylphenyl)-4H-pyran-3-carboxylate
CID 139079838
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263
ethyl 4-cyano-2,6-dimethylbenzoate
CID 134614514
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(4-phenylphenyl)-4H-pyran-3-carboxylate
CID 1035685
ethyl 5-(chloromethyl)-3-cyano-2-methylbenzoate
CID 131612895
ethyl 5-cyano-3-fluoro-2-iodobenzoate
CID 131531973
ethyl 6-amino-5-cyano-4-(2,6-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390358

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate (CID 167440087) is ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate is CCOC(=O)C1=C(C#N)C(O)NC(C)=C1.
What is the InChIKey of ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate?
The InChIKey is NECLPWTXQSLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,9,12-13H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate?
ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate is sourced from PubChem (CID 167440087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).