5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid

C8H10N2O2 — CID 82597049

IUPAC5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2n1CCCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)7-9-5-6-3-1-2-4-10(6)7/h5H,1-4H2,(H,11,12)
InChIKeyQZXMUJXWSSSIBH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.92
Rot. Bonds1

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

5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 82597049) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID82597049
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2n1CCCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)7-9-5-6-3-1-2-4-10(6)7/h5H,1-4H2,(H,11,12)
InChIKeyQZXMUJXWSSSIBH-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-But-3-enyl-5-methyl-imidazole-2-carboxylic acid
CID 162421327
1-But-3-enyl-4-methyl-imidazole-2-carboxylic acid
CID 162421326
3-methyl-5H,6H,7H,8H-imidazo(1,5-a)pyridine
CID 56972745
1-bromo-5H,6H,7H,8H-imidazo(1,5-a)pyridine-3-carboxylic acid
CID 83867601
lithium(1+) ion 5H,6H,7H-pyrrolo[1,2-c]imidazole-3-carboxylate
CID 138040423
6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-A]pyridine-3-carboxylic acid
CID 124178332
6-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 124179234
Methyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
CID 124179236
6-(2,2-Difluoro-2-iodoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 124184602
6-(2,2-Difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 132183245
Ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
CID 140764626
Potassium;6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
CID 140764664

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (CID 82597049) is 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1ncc2n1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is QZXMUJXWSSSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)7-9-5-6-3-1-2-4-10(6)7/h5H,1-4H2,(H,11,12).
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82597049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).