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

C7H9NO3 — CID 137209924

IUPACmethyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CCN=C1
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h4,9H,2-3H2,1H3
InChIKeyQYLQEEOAJSBHID-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.45
Rot. Bonds1

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

methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate (PubChem CID 137209924) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate
PubChem CID137209924
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CCN=C1
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h4,9H,2-3H2,1H3
InChIKeyQYLQEEOAJSBHID-UHFFFAOYSA-N
XLogP0.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate (CID 137209924) is methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate is COC(=O)C1=C(O)CCN=C1.
What is the InChIKey of methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate?
The InChIKey is QYLQEEOAJSBHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h4,9H,2-3H2,1H3.
What are the key properties of methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate?
methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 137209924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).