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

C8H6N2O3 — CID 18754124

IUPAC5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(=O)[nH]c12
InChIInChI=1S/C8H6N2O3/c11-6-2-1-5-7(10-6)4(3-9-5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyRIQFJFKTNZIUGF-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.55
Rot. Bonds1

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

5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 18754124) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID18754124
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(=O)[nH]c12
InChIInChI=1S/C8H6N2O3/c11-6-2-1-5-7(10-6)4(3-9-5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyRIQFJFKTNZIUGF-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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Related Compounds

2-methyl-1H-pyrrole-3-carboxylic acid
CID 255666
5-methyl-1H-pyrrole-3-carboxylic acid
CID 34179172
1-acetyl-4-(2-fluoro-4-iodophenylamino)-5-methyl-1H-pyrrole-3-carboxylicacid
CID 49797965
1H-pyrrolo(3,2-b)pyridine-3-carboxylic acid
CID 18754117
1H-Pyrrolo(3,2-b)pyridine-7-carboxylic acid
CID 46856451
2-propyl-1H-pyrrole-3-carboxylic acid
CID 68664395
4-Amino-5-[[3-methyl-3-(pyrrolidine-3-carbonylamino)butanoyl]amino]pyridine-3-carboxylic acid
CID 156022223
4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 135408952
1H-Pyrrole-3-carboxylic acid, 4-(acetylamino)-2-methyl-
CID 71757577
2-Ethyl-4-methyl-pyrrol-3-carboxylic acid
CID 21529852
2-ethyl-1H-pyrrole-3-carboxylic acid
CID 70140002
Tetrahydropyrrolopyrimidine-7-carboxylic acid
CID 129796845

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 18754124) is 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(=O)[nH]c12.
What is the InChIKey of 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is RIQFJFKTNZIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-6-2-1-5-7(10-6)4(3-9-5)8(12)13/h1-3,9H,(H,10,11)(H,12,13).
What are the key properties of 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid?
5-oxo-1,4-dihydropyrrolo[3,2-b]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 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 18754124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).