1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one

C14H10BrNOS — CID 63198977

IUPAC1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1csc2ccccc12
InChIInChI=1S/C14H10BrNOS/c15-11-5-6-14(17)16(8-11)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9H,7H2
InChIKeyZMTUFIQUTHJPLX-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.87
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one

1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one (PubChem CID 63198977) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one
PubChem CID63198977
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1csc2ccccc12
InChIInChI=1S/C14H10BrNOS/c15-11-5-6-14(17)16(8-11)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9H,7H2
InChIKeyZMTUFIQUTHJPLX-UHFFFAOYSA-N
XLogP3.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one (CID 63198977) is 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one is O=c1ccc(Br)cn1Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one?
The InChIKey is ZMTUFIQUTHJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-11-5-6-14(17)16(8-11)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9H,7H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one?
1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one has a molecular weight of 320.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-5-bromopyridin-2-one is sourced from PubChem (CID 63198977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).