7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid

C8H6N2O3 — CID 152749064

IUPAC7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccn(O)c-2n1
InChIInChI=1S/C8H6N2O3/c11-8(12)6-4-5-2-1-3-10(13)7(5)9-6/h1-4,13H,(H,11,12)
InChIKeyXEVVPPBFSQAUJV-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.92
Rot. Bonds1

About 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid

7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 152749064) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID152749064
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccn(O)c-2n1
InChIInChI=1S/C8H6N2O3/c11-8(12)6-4-5-2-1-3-10(13)7(5)9-6/h1-4,13H,(H,11,12)
InChIKeyXEVVPPBFSQAUJV-UHFFFAOYSA-N
XLogP0.92
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclobutadienyl)-7-hydroxypyrrolo[2,3-b]pyridine
CID 68634220
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid
CID 174849997
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
CID 102140939
2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine
CID 176888040
4-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 83816614
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023809

Frequently Asked Questions

What is the IUPAC name of 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 152749064) is 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cccn(O)c-2n1.
What is the InChIKey of 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is XEVVPPBFSQAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8(12)6-4-5-2-1-3-10(13)7(5)9-6/h1-4,13H,(H,11,12).
What are the key properties of 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 152749064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).