methyl 5,6-di(ethylidene)pyridine-3-carboxylate

C11H13NO2 — CID 123728530

IUPACmethyl 5,6-di(ethylidene)pyridine-3-carboxylate
SMILESCC=c1cc(C(=O)OC)cnc1=CC
InChIInChI=1S/C11H13NO2/c1-4-8-6-9(11(13)14-3)7-12-10(8)5-2/h4-7H,1-3H3
InChIKeyQSAJTNVVVCNVEL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.47
Rot. Bonds1

About methyl 5,6-di(ethylidene)pyridine-3-carboxylate

methyl 5,6-di(ethylidene)pyridine-3-carboxylate (PubChem CID 123728530) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 5,6-di(ethylidene)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-di(ethylidene)pyridine-3-carboxylate
PubChem CID123728530
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 5,6-di(ethylidene)pyridine-3-carboxylate
SMILESCC=c1cc(C(=O)OC)cnc1=CC
InChIInChI=1S/C11H13NO2/c1-4-8-6-9(11(13)14-3)7-12-10(8)5-2/h4-7H,1-3H3
InChIKeyQSAJTNVVVCNVEL-UHFFFAOYSA-N
XLogP0.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5,6-di(ethylidene)pyridine-3-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

Methyl 3-fluoro-2,5-dimethylidene-6-(2-methylprop-2-enylideneamino)hepta-3,6-dienoate
CID 123707721
methyl 2-[(Z)-[(2Z)-5-chloro-2-(1-fluoroethylidene)-3-pyridinylidene]methyl]prop-2-enoate
CID 156300785
Methyl 2-methyl-2,3-dihydropyridine-5-carboxylate
CID 68203851
methyl (3Z)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyridine-5-carboxylate
CID 90005211
ethyl 8-hydroxy-8H-cyclohepta[b]pyridine-3-carboxylate
CID 117764984
methyl (3E,5Z)-7-(but-2-enylideneamino)-2-butylidene-4-methyl-5-(methyliminomethyl)octa-3,5,7-trienoate
CID 123211409
Methyl 4-(methyliminomethyl)hexa-2,4-dienoate
CID 123351285
Methyl 2,3-dihydropyridine-5-carboxylate
CID 123518224
methyl 4-methylidene-3H-pyridine-6-carboxylate
CID 130377949
methyl (2E,4Z)-2,6,6-trimethyl-5-(methylideneamino)hepta-2,4-dienoate
CID 130388429
(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one
CID 134299954
ethyl (4Z,5E)-4,5-di(ethylidene)pyridine-2-carboxylate
CID 138514177

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-di(ethylidene)pyridine-3-carboxylate?
The IUPAC name of methyl 5,6-di(ethylidene)pyridine-3-carboxylate (CID 123728530) is methyl 5,6-di(ethylidene)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,6-di(ethylidene)pyridine-3-carboxylate?
The canonical SMILES for methyl 5,6-di(ethylidene)pyridine-3-carboxylate is CC=c1cc(C(=O)OC)cnc1=CC.
What is the InChIKey of methyl 5,6-di(ethylidene)pyridine-3-carboxylate?
The InChIKey is QSAJTNVVVCNVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-8-6-9(11(13)14-3)7-12-10(8)5-2/h4-7H,1-3H3.
What are the key properties of methyl 5,6-di(ethylidene)pyridine-3-carboxylate?
methyl 5,6-di(ethylidene)pyridine-3-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-di(ethylidene)pyridine-3-carboxylate is sourced from PubChem (CID 123728530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).