2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one

C14H11NOS — CID 118125586

IUPAC2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1cccc(-c2cc3ccc(=O)[nH]c3s2)c1
InChIInChI=1S/C14H11NOS/c1-9-3-2-4-10(7-9)12-8-11-5-6-13(16)15-14(11)17-12/h2-8H,1H3,(H,15,16)
InChIKeyGHXHBGSJJCPZOC-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.57
Rot. Bonds1

About 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one

2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 118125586) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID118125586
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1cccc(-c2cc3ccc(=O)[nH]c3s2)c1
InChIInChI=1S/C14H11NOS/c1-9-3-2-4-10(7-9)12-8-11-5-6-13(16)15-14(11)17-12/h2-8H,1H3,(H,15,16)
InChIKeyGHXHBGSJJCPZOC-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 118125586) is 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one is Cc1cccc(-c2cc3ccc(=O)[nH]c3s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is GHXHBGSJJCPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-3-2-4-10(7-9)12-8-11-5-6-13(16)15-14(11)17-12/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one?
2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 241.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 118125586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).