propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate

C9H13NO3 — CID 67341242

IUPACpropan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate
SMILESCC(C)OC(=O)C1=CC=CNC1O
InChIInChI=1S/C9H13NO3/c1-6(2)13-9(12)7-4-3-5-10-8(7)11/h3-6,8,10-11H,1-2H3
InChIKeyGLORGWONKJDSHK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.30
Rot. Bonds2

About propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate

propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate (PubChem CID 67341242) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate
PubChem CID67341242
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namepropan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate
SMILESCC(C)OC(=O)C1=CC=CNC1O
InChIInChI=1S/C9H13NO3/c1-6(2)13-9(12)7-4-3-5-10-8(7)11/h3-6,8,10-11H,1-2H3
InChIKeyGLORGWONKJDSHK-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-hydroxy-1,2-dihydropyridine-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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate (CID 67341242) is propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate is CC(C)OC(=O)C1=CC=CNC1O.
What is the InChIKey of propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate?
The InChIKey is GLORGWONKJDSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)13-9(12)7-4-3-5-10-8(7)11/h3-6,8,10-11H,1-2H3.
What are the key properties of propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate?
propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-1,2-dihydropyridine-3-carboxylate is sourced from PubChem (CID 67341242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).