methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate

C8H11NO3 — CID 137199285

IUPACmethyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CCN=C1C
InChIInChI=1S/C8H11NO3/c1-5-7(8(11)12-2)6(10)3-4-9-5/h10H,3-4H2,1-2H3
InChIKeyJJDBPOICLIIRTA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.84
Rot. Bonds1

About methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate

methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate (PubChem CID 137199285) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
PubChem CID137199285
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CCN=C1C
InChIInChI=1S/C8H11NO3/c1-5-7(8(11)12-2)6(10)3-4-9-5/h10H,3-4H2,1-2H3
InChIKeyJJDBPOICLIIRTA-UHFFFAOYSA-N
XLogP0.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate (CID 137199285) is methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate is COC(=O)C1=C(O)CCN=C1C.
What is the InChIKey of methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
The InChIKey is JJDBPOICLIIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-7(8(11)12-2)6(10)3-4-9-5/h10H,3-4H2,1-2H3.
What are the key properties of methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate?
methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 137199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).