3-methylthieno[2,3-b]pyridine-2-carbaldehyde

C9H7NOS — CID 82374291

IUPAC3-methylthieno[2,3-b]pyridine-2-carbaldehyde
SMILESCc1c(C=O)sc2ncccc12
InChIInChI=1S/C9H7NOS/c1-6-7-3-2-4-10-9(7)12-8(6)5-11/h2-5H,1H3
InChIKeyNIVFKSUKPUXVNV-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.42
Rot. Bonds1

About 3-methylthieno[2,3-b]pyridine-2-carbaldehyde

3-methylthieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 82374291) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methylthieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methylthieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID82374291
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3-methylthieno[2,3-b]pyridine-2-carbaldehyde
SMILESCc1c(C=O)sc2ncccc12
InChIInChI=1S/C9H7NOS/c1-6-7-3-2-4-10-9(7)12-8(6)5-11/h2-5H,1H3
InChIKeyNIVFKSUKPUXVNV-UHFFFAOYSA-N
XLogP2.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 3-methylthieno[2,3-b]pyridine-2-carbaldehyde (CID 82374291) is 3-methylthieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methylthieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 3-methylthieno[2,3-b]pyridine-2-carbaldehyde is Cc1c(C=O)sc2ncccc12.
What is the InChIKey of 3-methylthieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is NIVFKSUKPUXVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-6-7-3-2-4-10-9(7)12-8(6)5-11/h2-5H,1H3.
What are the key properties of 3-methylthieno[2,3-b]pyridine-2-carbaldehyde?
3-methylthieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 177.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 82374291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).