4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H14N2O3 — CID 117158645

IUPAC4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3n2CC(O)CC3)cc1
InChIInChI=1S/C14H14N2O3/c17-12-6-5-11-7-15-13(16(11)8-12)9-1-3-10(4-2-9)14(18)19/h1-4,7,12,17H,5-6,8H2,(H,18,19)
InChIKeyQBUHEBLXOOXMNL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds2

About 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid

4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158645) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158645
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3n2CC(O)CC3)cc1
InChIInChI=1S/C14H14N2O3/c17-12-6-5-11-7-15-13(16(11)8-12)9-1-3-10(4-2-9)14(18)19/h1-4,7,12,17H,5-6,8H2,(H,18,19)
InChIKeyQBUHEBLXOOXMNL-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 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158645) is 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2ncc3n2CC(O)CC3)cc1.
What is the InChIKey of 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is QBUHEBLXOOXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-6-5-11-7-15-13(16(11)8-12)9-1-3-10(4-2-9)14(18)19/h1-4,7,12,17H,5-6,8H2,(H,18,19).
What are the key properties of 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-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 4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).