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

C11H12N2O — CID 105443050

IUPAC6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCC(C)c1cnc2cc(C=O)[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-7(2)8-3-11-10(12-5-8)4-9(6-14)13-11/h3-7,13H,1-2H3
InChIKeyJNJVFFGBTPCJEQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.50
Rot. Bonds2

About 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde

6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde (PubChem CID 105443050) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
PubChem CID105443050
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCC(C)c1cnc2cc(C=O)[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-7(2)8-3-11-10(12-5-8)4-9(6-14)13-11/h3-7,13H,1-2H3
InChIKeyJNJVFFGBTPCJEQ-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 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde (CID 105443050) is 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde is CC(C)c1cnc2cc(C=O)[nH]c2c1.
What is the InChIKey of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is JNJVFFGBTPCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)8-3-11-10(12-5-8)4-9(6-14)13-11/h3-7,13H,1-2H3.
What are the key properties of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-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 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 105443050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).