methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate

C7H9NO3 — CID 71427611

IUPACmethyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC(O)NC=C1
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4,6,8-9H,1H3
InChIKeyRSLAGBBSVIKKLY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.48
Rot. Bonds1

About methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate

methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate (PubChem CID 71427611) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate
PubChem CID71427611
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC(O)NC=C1
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4,6,8-9H,1H3
InChIKeyRSLAGBBSVIKKLY-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate?
The IUPAC name of methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate (CID 71427611) is methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate?
The canonical SMILES for methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate is COC(=O)C1=CC(O)NC=C1.
What is the InChIKey of methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate?
The InChIKey is RSLAGBBSVIKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4,6,8-9H,1H3.
What are the key properties of methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate?
methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate has a molecular weight of 155.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-1,2-dihydropyridine-4-carboxylate is sourced from PubChem (CID 71427611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).