1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine

C10H12N2O — CID 151456126

IUPAC1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc2ccn(O)c2n1
InChIInChI=1S/C10H12N2O/c1-7(2)9-4-3-8-5-6-12(13)10(8)11-9/h3-7,13H,1-2H3
InChIKeyPHMJOKJGELOCJW-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.40
Rot. Bonds1

About 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine

1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 151456126) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID151456126
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc2ccn(O)c2n1
InChIInChI=1S/C10H12N2O/c1-7(2)9-4-3-8-5-6-12(13)10(8)11-9/h3-7,13H,1-2H3
InChIKeyPHMJOKJGELOCJW-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine (CID 151456126) is 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine is CC(C)c1ccc2ccn(O)c2n1.
What is the InChIKey of 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is PHMJOKJGELOCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)9-4-3-8-5-6-12(13)10(8)11-9/h3-7,13H,1-2H3.
What are the key properties of 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine?
1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151456126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).