1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid

C9H10N2O4 — CID 178067309

IUPAC1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid
SMILESO=C(O)C1=CC=C2NCC(C(=O)O)N2C1
InChIInChI=1S/C9H10N2O4/c12-8(13)5-1-2-7-10-3-6(9(14)15)11(7)4-5/h1-2,6,10H,3-4H2,(H,12,13)(H,14,15)
InChIKeyANLAVVDSUVRJJF-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.79
Rot. Bonds2

About 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid

1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid (PubChem CID 178067309) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid.

Molecular Properties

Compound Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid
PubChem CID178067309
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid
SMILESO=C(O)C1=CC=C2NCC(C(=O)O)N2C1
InChIInChI=1S/C9H10N2O4/c12-8(13)5-1-2-7-10-3-6(9(14)15)11(7)4-5/h1-2,6,10H,3-4H2,(H,12,13)(H,14,15)
InChIKeyANLAVVDSUVRJJF-UHFFFAOYSA-N
XLogP-0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid?
The IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid (CID 178067309) is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid.
What is the SMILES notation for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid?
The canonical SMILES for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid is O=C(O)C1=CC=C2NCC(C(=O)O)N2C1.
What is the InChIKey of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid?
The InChIKey is ANLAVVDSUVRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(13)5-1-2-7-10-3-6(9(14)15)11(7)4-5/h1-2,6,10H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid?
1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-3,6-dicarboxylic acid is sourced from PubChem (CID 178067309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).