2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C11H12N2O — CID 84661488

IUPAC2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)c1[nH]c2ncccc2c1C=O
InChIInChI=1S/C11H12N2O/c1-7(2)10-9(6-14)8-4-3-5-12-11(8)13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyBCGYTVWKNDCJJF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.50
Rot. Bonds2

About 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 84661488) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID84661488
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)c1[nH]c2ncccc2c1C=O
InChIInChI=1S/C11H12N2O/c1-7(2)10-9(6-14)8-4-3-5-12-11(8)13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyBCGYTVWKNDCJJF-UHFFFAOYSA-N
XLogP2.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 84661488) is 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is CC(C)c1[nH]c2ncccc2c1C=O.
What is the InChIKey of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is BCGYTVWKNDCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)10-9(6-14)8-4-3-5-12-11(8)13-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 84661488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).