4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid

C8H6N2O3 — CID 53412873

IUPAC4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc[nH]c(=O)c12
InChIInChI=1S/C8H6N2O3/c11-7-6-4(8(12)13)3-10-5(6)1-2-9-7/h1-3,10H,(H,9,11)(H,12,13)
InChIKeyKLGWJJMAKWKOGD-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.55
Rot. Bonds1

About 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid

4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid (PubChem CID 53412873) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
PubChem CID53412873
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc[nH]c(=O)c12
InChIInChI=1S/C8H6N2O3/c11-7-6-4(8(12)13)3-10-5(6)1-2-9-7/h1-3,10H,(H,9,11)(H,12,13)
InChIKeyKLGWJJMAKWKOGD-UHFFFAOYSA-N
XLogP0.55
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid (CID 53412873) is 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2cc[nH]c(=O)c12.
What is the InChIKey of 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid?
The InChIKey is KLGWJJMAKWKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-6-4(8(12)13)3-10-5(6)1-2-9-7/h1-3,10H,(H,9,11)(H,12,13).
What are the key properties of 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid?
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 53412873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).