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

C9H8N2O — CID 18946934

IUPAC5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cnc2[nH]cc(C=O)c2c1
InChIInChI=1S/C9H8N2O/c1-6-2-8-7(5-12)4-11-9(8)10-3-6/h2-5H,1H3,(H,10,11)
InChIKeyAWKPQZFWCIMWEH-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.68
Rot. Bonds1

About 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 18946934) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID18946934
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cnc2[nH]cc(C=O)c2c1
InChIInChI=1S/C9H8N2O/c1-6-2-8-7(5-12)4-11-9(8)10-3-6/h2-5H,1H3,(H,10,11)
InChIKeyAWKPQZFWCIMWEH-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 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 18946934) is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is Cc1cnc2[nH]cc(C=O)c2c1.
What is the InChIKey of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is AWKPQZFWCIMWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-2-8-7(5-12)4-11-9(8)10-3-6/h2-5H,1H3,(H,10,11).
What are the key properties of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-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 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 18946934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).