3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

C15H14N2O5 — CID 137005477

IUPAC3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccc(O)cc2)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C15H14N2O5/c18-10-4-1-8(2-5-10)13-16-12(15(21)22)11-6-3-9(14(19)20)7-17(11)13/h1-2,4-5,9,18H,3,6-7H2,(H,19,20)(H,21,22)
InChIKeyHVUGJSPAZNBJGN-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.60
Rot. Bonds3

About 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (PubChem CID 137005477) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
PubChem CID137005477
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccc(O)cc2)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C15H14N2O5/c18-10-4-1-8(2-5-10)13-16-12(15(21)22)11-6-3-9(14(19)20)7-17(11)13/h1-2,4-5,9,18H,3,6-7H2,(H,19,20)(H,21,22)
InChIKeyHVUGJSPAZNBJGN-UHFFFAOYSA-N
XLogP1.60
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (CID 137005477) is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is O=C(O)c1nc(-c2ccc(O)cc2)n2c1CCC(C(=O)O)C2.
What is the InChIKey of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The InChIKey is HVUGJSPAZNBJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-10-4-1-8(2-5-10)13-16-12(15(21)22)11-6-3-9(14(19)20)7-17(11)13/h1-2,4-5,9,18H,3,6-7H2,(H,19,20)(H,21,22).
What are the key properties of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 137005477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).