7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine

C7H8ClNS — CID 166842042

IUPAC7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClC1NC=CC2=C1SCC2
InChIInChI=1S/C7H8ClNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1,3,7,9H,2,4H2
InChIKeyMLAMMCISYOEQQL-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.06
Rot. Bonds

About 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine

7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 166842042) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID166842042
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClC1NC=CC2=C1SCC2
InChIInChI=1S/C7H8ClNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1,3,7,9H,2,4H2
InChIKeyMLAMMCISYOEQQL-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine (CID 166842042) is 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine is ClC1NC=CC2=C1SCC2.
What is the InChIKey of 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is MLAMMCISYOEQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1,3,7,9H,2,4H2.
What are the key properties of 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 173.67 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 166842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).