6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde

C8H9NOS — CID 64992263

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2sccc2C1
InChIInChI=1S/C8H9NOS/c10-6-9-3-1-8-7(5-9)2-4-11-8/h2,4,6H,1,3,5H2
InChIKeyZFQIESNTCAEKFU-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.26
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde

6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde (PubChem CID 64992263) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde
PubChem CID64992263
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2sccc2C1
InChIInChI=1S/C8H9NOS/c10-6-9-3-1-8-7(5-9)2-4-11-8/h2,4,6H,1,3,5H2
InChIKeyZFQIESNTCAEKFU-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
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 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde (CID 64992263) is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde is O=CN1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde?
The InChIKey is ZFQIESNTCAEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-6-9-3-1-8-7(5-9)2-4-11-8/h2,4,6H,1,3,5H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde?
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde has a molecular weight of 167.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 64992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).