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

C8H5BrFNOS — CID 171437632

IUPAC3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(F)c2scc(Br)c2c1=O
InChIInChI=1S/C8H5BrFNOS/c1-11-2-5(10)7-6(8(11)12)4(9)3-13-7/h2-3H,1H3
InChIKeyHACNPSCCJCYRGR-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.50
Rot. Bonds

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

3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 171437632) has the molecular formula C8H5BrFNOS and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID171437632
Molecular FormulaC8H5BrFNOS
Molecular Weight262.10 g/mol
Exact Mass260.93
IUPAC Name3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(F)c2scc(Br)c2c1=O
InChIInChI=1S/C8H5BrFNOS/c1-11-2-5(10)7-6(8(11)12)4(9)3-13-7/h2-3H,1H3
InChIKeyHACNPSCCJCYRGR-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one (CID 171437632) is 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one is Cn1cc(F)c2scc(Br)c2c1=O.
What is the InChIKey of 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is HACNPSCCJCYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNOS/c1-11-2-5(10)7-6(8(11)12)4(9)3-13-7/h2-3H,1H3.
What are the key properties of 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one?
3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 262.10 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 171437632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).