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

C9H8N2O — CID 118078544

IUPAC2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
SMILESCc1cc2ncc(C=O)cc2[nH]1
InChIInChI=1S/C9H8N2O/c1-6-2-8-9(11-6)3-7(5-12)4-10-8/h2-5,11H,1H3
InChIKeyFHXWZHYTXNMUJG-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.68
Rot. Bonds1

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

2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde (PubChem CID 118078544) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
PubChem CID118078544
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
SMILESCc1cc2ncc(C=O)cc2[nH]1
InChIInChI=1S/C9H8N2O/c1-6-2-8-9(11-6)3-7(5-12)4-10-8/h2-5,11H,1H3
InChIKeyFHXWZHYTXNMUJG-UHFFFAOYSA-N
XLogP1.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.68
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-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde?
The IUPAC name of 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde (CID 118078544) is 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde?
The canonical SMILES for 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde is Cc1cc2ncc(C=O)cc2[nH]1.
What is the InChIKey of 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde?
The InChIKey is FHXWZHYTXNMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-2-8-9(11-6)3-7(5-12)4-10-8/h2-5,11H,1H3.
What are the key properties of 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde?
2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 118078544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).