1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid

C8H7N3O3 — CID 82402350

IUPAC1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1cnc2[nH]c(=O)cc(C(=O)O)c21
InChIInChI=1S/C8H7N3O3/c1-11-3-9-7-6(11)4(8(13)14)2-5(12)10-7/h2-3H,1H3,(H,10,12)(H,13,14)
InChIKeyXSZORSJMHRMVDG-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.04
Rot. Bonds1

About 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid

1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 82402350) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID82402350
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1cnc2[nH]c(=O)cc(C(=O)O)c21
InChIInChI=1S/C8H7N3O3/c1-11-3-9-7-6(11)4(8(13)14)2-5(12)10-7/h2-3H,1H3,(H,10,12)(H,13,14)
InChIKeyXSZORSJMHRMVDG-UHFFFAOYSA-N
XLogP-0.04
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 82402350) is 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid is Cn1cnc2[nH]c(=O)cc(C(=O)O)c21.
What is the InChIKey of 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is XSZORSJMHRMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-3-9-7-6(11)4(8(13)14)2-5(12)10-7/h2-3H,1H3,(H,10,12)(H,13,14).
What are the key properties of 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid?
1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 82402350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).