methyl 6-methyl-2,3-dihydropyridine-4-carboxylate

C8H11NO2 — CID 59918596

IUPACmethyl 6-methyl-2,3-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)=NCC1
InChIInChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h5H,3-4H2,1-2H3
InChIKeyCSEFIPNUOPLRQJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds1

About methyl 6-methyl-2,3-dihydropyridine-4-carboxylate

methyl 6-methyl-2,3-dihydropyridine-4-carboxylate (PubChem CID 59918596) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 6-methyl-2,3-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2,3-dihydropyridine-4-carboxylate
PubChem CID59918596
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 6-methyl-2,3-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)=NCC1
InChIInChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h5H,3-4H2,1-2H3
InChIKeyCSEFIPNUOPLRQJ-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-methyl-2,3-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 2-oxo-3H-pyridine-4-carboxylate
CID 53418804
Methyl 6-bromo-2,3-dihydropyridine-4-carboxylate
CID 90338022
methyl 3H-pyridin-1-ium-4-carboxylate
CID 91526859
methyl 2-(C,N-dimethylcarbonimidoyl)penta-2,4-dienoate
CID 123289253
dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
CID 123466592
methyl (E)-2-(C-methyl-N-propan-2-ylcarbonimidoyl)but-2-enoate
CID 123923233
Methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate
CID 129046104
Methyl 2-methyl-2,3-dihydropyridine-4-carboxylate
CID 134242734
ethyl (E)-4-ethylimino-2-methylpent-2-enoate
CID 146420487
Methyl 2,3-dihydropyridine-4-carboxylate
CID 148624416
methyl (E)-2-(N-ethyl-C-methylcarbonimidoyl)pent-2-en-4-ynoate
CID 164020987
ethyl 3-hydroxyimino-2H-pyridine-4-carboxylate
CID 173553271

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2,3-dihydropyridine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2,3-dihydropyridine-4-carboxylate (CID 59918596) is methyl 6-methyl-2,3-dihydropyridine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2,3-dihydropyridine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2,3-dihydropyridine-4-carboxylate is COC(=O)C1=CC(C)=NCC1.
What is the InChIKey of methyl 6-methyl-2,3-dihydropyridine-4-carboxylate?
The InChIKey is CSEFIPNUOPLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 6-methyl-2,3-dihydropyridine-4-carboxylate?
methyl 6-methyl-2,3-dihydropyridine-4-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2,3-dihydropyridine-4-carboxylate is sourced from PubChem (CID 59918596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).