imidazo[1,2-a]pyridine-2,7-dicarboxylic acid

C9H6N2O4 — CID 19701499

IUPACimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
SMILESO=C(O)c1ccn2cc(C(=O)O)nc2c1
InChIInChI=1S/C9H6N2O4/c12-8(13)5-1-2-11-4-6(9(14)15)10-7(11)3-5/h1-4H,(H,12,13)(H,14,15)
InChIKeyQSCBTXSRXOGDOH-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.73
Rot. Bonds2

About imidazo[1,2-a]pyridine-2,7-dicarboxylic acid

imidazo[1,2-a]pyridine-2,7-dicarboxylic acid (PubChem CID 19701499) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine-2,7-dicarboxylic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
PubChem CID19701499
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Nameimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
SMILESO=C(O)c1ccn2cc(C(=O)O)nc2c1
InChIInChI=1S/C9H6N2O4/c12-8(13)5-1-2-11-4-6(9(14)15)10-7(11)3-5/h1-4H,(H,12,13)(H,14,15)
InChIKeyQSCBTXSRXOGDOH-UHFFFAOYSA-N
XLogP0.73
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Imidazo[1,2-a]pyridine-3-acetic acid
CID 87284
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
2-(7-Methylimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 326092
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine-2,7-dicarboxylic acid?
The IUPAC name of imidazo[1,2-a]pyridine-2,7-dicarboxylic acid (CID 19701499) is imidazo[1,2-a]pyridine-2,7-dicarboxylic acid.
What is the SMILES notation for imidazo[1,2-a]pyridine-2,7-dicarboxylic acid?
The canonical SMILES for imidazo[1,2-a]pyridine-2,7-dicarboxylic acid is O=C(O)c1ccn2cc(C(=O)O)nc2c1.
What is the InChIKey of imidazo[1,2-a]pyridine-2,7-dicarboxylic acid?
The InChIKey is QSCBTXSRXOGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-8(13)5-1-2-11-4-6(9(14)15)10-7(11)3-5/h1-4H,(H,12,13)(H,14,15).
What are the key properties of imidazo[1,2-a]pyridine-2,7-dicarboxylic acid?
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine-2,7-dicarboxylic acid is sourced from PubChem (CID 19701499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).