5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C10H11N3O4 — CID 71162272

IUPAC5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(=O)C(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C10H11N3O4/c1-5(14)9(15)13-3-7-6(11-4-12-7)2-8(13)10(16)17/h4,8H,2-3H2,1H3,(H,11,12)(H,16,17)
InChIKeyQOBLRDUSKXHRDY-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.66
Rot. Bonds2

About 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 71162272) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID71162272
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(=O)C(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C10H11N3O4/c1-5(14)9(15)13-3-7-6(11-4-12-7)2-8(13)10(16)17/h4,8H,2-3H2,1H3,(H,11,12)(H,16,17)
InChIKeyQOBLRDUSKXHRDY-UHFFFAOYSA-N
XLogP-0.66
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 71162272) is 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(=O)C(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is QOBLRDUSKXHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5(14)9(15)13-3-7-6(11-4-12-7)2-8(13)10(16)17/h4,8H,2-3H2,1H3,(H,11,12)(H,16,17).
What are the key properties of 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 71162272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).