methyl 1,2-dihydropyridine-6-carboxylate

C7H9NO2 — CID 67246470

IUPACmethyl 1,2-dihydropyridine-6-carboxylate
SMILESCOC(=O)C1=CC=CCN1
InChIInChI=1S/C7H9NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-4,8H,5H2,1H3
InChIKeyXCBYPDAVWDYRQK-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.20
Rot. Bonds1

About methyl 1,2-dihydropyridine-6-carboxylate

methyl 1,2-dihydropyridine-6-carboxylate (PubChem CID 67246470) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is methyl 1,2-dihydropyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dihydropyridine-6-carboxylate
PubChem CID67246470
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namemethyl 1,2-dihydropyridine-6-carboxylate
SMILESCOC(=O)C1=CC=CCN1
InChIInChI=1S/C7H9NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-4,8H,5H2,1H3
InChIKeyXCBYPDAVWDYRQK-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CID 12342664
diethyl N-allylaminofumarate
CID 125471021
dimethyl N-allylaminofumarate
CID 129747874
ethyl N-allylaminocrotonate
CID 129791982
Methyl 2-(3-butenyl)aminocrotonate
CID 18611356
Methyl 2,5-dichloro-1,2-dihydropyridine-6-carboxylate
CID 22008856
Methyl 1-methyl-1,6-dihydropyridine-2-carboxylate
CID 45082076
Methyl 1,3-dihydropyrrol-3-ide-5-carboxylate;yttrium
CID 57651293
dimethyl (E)-2-(anilino)but-2-enedioate;yttrium
CID 59896951
Methyl methylaminocrotonate
CID 60010764
Ethyl 1,2-dihydropyridine-6-carboxylate
CID 67248275
Methyl 2-(1,2-dihydropyrrol-5-ylidene)acetate
CID 67744286

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydropyridine-6-carboxylate?
The IUPAC name of methyl 1,2-dihydropyridine-6-carboxylate (CID 67246470) is methyl 1,2-dihydropyridine-6-carboxylate.
What is the SMILES notation for methyl 1,2-dihydropyridine-6-carboxylate?
The canonical SMILES for methyl 1,2-dihydropyridine-6-carboxylate is COC(=O)C1=CC=CCN1.
What is the InChIKey of methyl 1,2-dihydropyridine-6-carboxylate?
The InChIKey is XCBYPDAVWDYRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-4,8H,5H2,1H3.
What are the key properties of methyl 1,2-dihydropyridine-6-carboxylate?
methyl 1,2-dihydropyridine-6-carboxylate has a molecular weight of 139.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydropyridine-6-carboxylate is sourced from PubChem (CID 67246470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).