2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine

C21H19NOS — CID 10616662

IUPAC2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine
SMILESCCCCOc1ccc2cc(-c3cc4ccncc4s3)ccc2c1
InChIInChI=1S/C21H19NOS/c1-2-3-10-23-19-7-6-15-11-17(5-4-16(15)12-19)20-13-18-8-9-22-14-21(18)24-20/h4-9,11-14H,2-3,10H2,1H3
InChIKeyOFAUPIBOJBQNIL-UHFFFAOYSA-N
MW333.46 g/mol
LogP6.30
Rot. Bonds5

About 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine

2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine (PubChem CID 10616662) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine
PubChem CID10616662
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine
SMILESCCCCOc1ccc2cc(-c3cc4ccncc4s3)ccc2c1
InChIInChI=1S/C21H19NOS/c1-2-3-10-23-19-7-6-15-11-17(5-4-16(15)12-19)20-13-18-8-9-22-14-21(18)24-20/h4-9,11-14H,2-3,10H2,1H3
InChIKeyOFAUPIBOJBQNIL-UHFFFAOYSA-N
XLogP6.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine (CID 10616662) is 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine is CCCCOc1ccc2cc(-c3cc4ccncc4s3)ccc2c1.
What is the InChIKey of 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine?
The InChIKey is OFAUPIBOJBQNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-2-3-10-23-19-7-6-15-11-17(5-4-16(15)12-19)20-13-18-8-9-22-14-21(18)24-20/h4-9,11-14H,2-3,10H2,1H3.
What are the key properties of 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine?
2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine has a molecular weight of 333.46 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butoxynaphthalen-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 10616662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).