7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one

C9H8BrNOS — CID 144628500

IUPAC7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C9H8BrNOS/c1-5-3-6-8(13-5)7(10)4-11(2)9(6)12/h3-4H,1-2H3
InChIKeyNONPYSFKOYSXIS-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.67
Rot. Bonds

About 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one

7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one (PubChem CID 144628500) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
PubChem CID144628500
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C9H8BrNOS/c1-5-3-6-8(13-5)7(10)4-11(2)9(6)12/h3-4H,1-2H3
InChIKeyNONPYSFKOYSXIS-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122603148
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CID 123272724
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CID 144628448
CID 144628448

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one (CID 144628500) is 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one is Cc1cc2c(=O)n(C)cc(Br)c2s1.
What is the InChIKey of 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The InChIKey is NONPYSFKOYSXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c1-5-3-6-8(13-5)7(10)4-11(2)9(6)12/h3-4H,1-2H3.
What are the key properties of 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one?
7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one has a molecular weight of 258.14 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 144628500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).