4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride

C8H10ClNOS — CID 11845087

IUPAC4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cc2c(s1)CCNC2
InChIInChI=1S/C8H9NOS.ClH/c10-5-7-3-6-4-9-2-1-8(6)11-7;/h3,5,9H,1-2,4H2;1H
InChIKeyONBXVZOJAXVSCT-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.63
Rot. Bonds1

About 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride

4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride (PubChem CID 11845087) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride
PubChem CID11845087
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cc2c(s1)CCNC2
InChIInChI=1S/C8H9NOS.ClH/c10-5-7-3-6-4-9-2-1-8(6)11-7;/h3,5,9H,1-2,4H2;1H
InChIKeyONBXVZOJAXVSCT-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride (CID 11845087) is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride is Cl.O=Cc1cc2c(s1)CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride?
The InChIKey is ONBXVZOJAXVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.ClH/c10-5-7-3-6-4-9-2-1-8(6)11-7;/h3,5,9H,1-2,4H2;1H.
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride?
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 11845087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).