5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one

C10H8BrNOS — CID 66311040

IUPAC5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccsc1
InChIInChI=1S/C10H8BrNOS/c11-9-1-2-10(13)12(6-9)5-8-3-4-14-7-8/h1-4,6-7H,5H2
InChIKeyRVGJYMWIVOPNBG-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.72
Rot. Bonds2

About 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one

5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one (PubChem CID 66311040) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one
PubChem CID66311040
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccsc1
InChIInChI=1S/C10H8BrNOS/c11-9-1-2-10(13)12(6-9)5-8-3-4-14-7-8/h1-4,6-7H,5H2
InChIKeyRVGJYMWIVOPNBG-UHFFFAOYSA-N
XLogP2.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one (CID 66311040) is 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one is O=c1ccc(Br)cn1Cc1ccsc1.
What is the InChIKey of 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one?
The InChIKey is RVGJYMWIVOPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c11-9-1-2-10(13)12(6-9)5-8-3-4-14-7-8/h1-4,6-7H,5H2.
What are the key properties of 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one?
5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one has a molecular weight of 270.15 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(thiophen-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 66311040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).