2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C11H16N2O3 — CID 117153230

IUPAC2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(CCCO)cn2C1
InChIInChI=1S/C11H16N2O3/c14-5-1-2-9-7-13-6-8(11(15)16)3-4-10(13)12-9/h7-8,14H,1-6H2,(H,15,16)
InChIKeyPFOIQDSLXCTRQM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.46
Rot. Bonds4

About 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117153230) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117153230
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(CCCO)cn2C1
InChIInChI=1S/C11H16N2O3/c14-5-1-2-9-7-13-6-8(11(15)16)3-4-10(13)12-9/h7-8,14H,1-6H2,(H,15,16)
InChIKeyPFOIQDSLXCTRQM-UHFFFAOYSA-N
XLogP0.46
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 117153230) is 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2nc(CCCO)cn2C1.
What is the InChIKey of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is PFOIQDSLXCTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-5-1-2-9-7-13-6-8(11(15)16)3-4-10(13)12-9/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117153230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).