ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate

C9H13NO3 — CID 123297765

IUPACethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(O)N=C1C
InChIInChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h4,8,11H,3,5H2,1-2H3
InChIKeyGQFOEBKUSWVJEI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.66
Rot. Bonds2

About ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate

ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate (PubChem CID 123297765) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
PubChem CID123297765
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(O)N=C1C
InChIInChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h4,8,11H,3,5H2,1-2H3
InChIKeyGQFOEBKUSWVJEI-UHFFFAOYSA-N
XLogP0.66
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-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 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate
CID 123966250
ethyl 3H-pyridin-1-ium-4-carboxylate
CID 90965285
dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
CID 123466592
Ethyl 2-methyl-4-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 135399861
Methyl 1,4,5,6-tetrahydro-2-methyl-4-oxo-3-pyridinecarboxylate
CID 137199285
ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate
CID 144855661
7-(3-Hydroxypropyl)-2,3-dihydropyrano[4,3-b]pyridin-5-one
CID 169597805
ethyl (E)-2-[N-ethyl-C-(methoxymethyl)carbonimidoyl]but-2-enoate
CID 171620149
5-(C,N-dimethylcarbonimidoyl)-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 135604524
ethyl 5-methyl-2H-pyrrole-4-carboxylate
CID 164956356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate (CID 123297765) is ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=CCC(O)N=C1C.
What is the InChIKey of ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The InChIKey is GQFOEBKUSWVJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h4,8,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 123297765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).