3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid

C13H19NO6 — CID 106988306

IUPAC3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid
SMILESCOCC(C)OCC(O)COc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO6/c1-9(6-18-2)19-7-10(15)8-20-11-4-3-5-14-12(11)13(16)17/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyLHBAHRDOUOHSDW-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.57
Rot. Bonds9

About 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid

3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid (PubChem CID 106988306) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid
PubChem CID106988306
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid
SMILESCOCC(C)OCC(O)COc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO6/c1-9(6-18-2)19-7-10(15)8-20-11-4-3-5-14-12(11)13(16)17/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyLHBAHRDOUOHSDW-UHFFFAOYSA-N
XLogP0.57
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid (CID 106988306) is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid is COCC(C)OCC(O)COc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid?
The InChIKey is LHBAHRDOUOHSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-9(6-18-2)19-7-10(15)8-20-11-4-3-5-14-12(11)13(16)17/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid?
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 0.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 106988306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).