1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C15H9ClF3NOS — CID 39982026

IUPAC1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H9ClF3NOS/c16-14-10-3-1-2-4-11(10)22-12(14)8-20-7-9(15(17,18)19)5-6-13(20)21/h1-7H,8H2
InChIKeyQUCAZRUPSFJLDR-UHFFFAOYSA-N
MW343.76 g/mol
LogP4.78
Rot. Bonds2

About 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 39982026) has the molecular formula C15H9ClF3NOS and a molecular weight of 343.76 g/mol. Its IUPAC name is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID39982026
Molecular FormulaC15H9ClF3NOS
Molecular Weight343.76 g/mol
Exact Mass343.00
IUPAC Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H9ClF3NOS/c16-14-10-3-1-2-4-11(10)22-12(14)8-20-7-9(15(17,18)19)5-6-13(20)21/h1-7H,8H2
InChIKeyQUCAZRUPSFJLDR-UHFFFAOYSA-N
XLogP4.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 39982026) is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1sc2ccccc2c1Cl.
What is the InChIKey of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QUCAZRUPSFJLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NOS/c16-14-10-3-1-2-4-11(10)22-12(14)8-20-7-9(15(17,18)19)5-6-13(20)21/h1-7H,8H2.
What are the key properties of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 343.76 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).