2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid

C14H14N2O3 — CID 117158303

IUPAC2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cn2c(n1)CCC(O)C2
InChIInChI=1S/C14H14N2O3/c17-9-5-6-13-15-12(8-16(13)7-9)10-3-1-2-4-11(10)14(18)19/h1-4,8-9,17H,5-7H2,(H,18,19)
InChIKeyWISPSWHZISPIKN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds2

About 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid

2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid (PubChem CID 117158303) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
PubChem CID117158303
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cn2c(n1)CCC(O)C2
InChIInChI=1S/C14H14N2O3/c17-9-5-6-13-15-12(8-16(13)7-9)10-3-1-2-4-11(10)14(18)19/h1-4,8-9,17H,5-7H2,(H,18,19)
InChIKeyWISPSWHZISPIKN-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid (CID 117158303) is 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid is O=C(O)c1ccccc1-c1cn2c(n1)CCC(O)C2.
What is the InChIKey of 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The InChIKey is WISPSWHZISPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-9-5-6-13-15-12(8-16(13)7-9)10-3-1-2-4-11(10)14(18)19/h1-4,8-9,17H,5-7H2,(H,18,19).
What are the key properties of 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).