(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone

C20H12FNOS — CID 122208620

IUPAC(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C20H12FNOS/c21-14-10-8-13(9-11-14)19(23)18-15-5-1-2-7-17(15)24-20(18)16-6-3-4-12-22-16/h1-12H
InChIKeyIBAQPBJBMHHJNB-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.33
Rot. Bonds3

About (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone

(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone (PubChem CID 122208620) has the molecular formula C20H12FNOS and a molecular weight of 333.39 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone
PubChem CID122208620
Molecular FormulaC20H12FNOS
Molecular Weight333.39 g/mol
Exact Mass333.06
IUPAC Name(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C20H12FNOS/c21-14-10-8-13(9-11-14)19(23)18-15-5-1-2-7-17(15)24-20(18)16-6-3-4-12-22-16/h1-12H
InChIKeyIBAQPBJBMHHJNB-UHFFFAOYSA-N
XLogP5.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone (CID 122208620) is (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone is O=C(c1ccc(F)cc1)c1c(-c2ccccn2)sc2ccccc12.
What is the InChIKey of (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone?
The InChIKey is IBAQPBJBMHHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNOS/c21-14-10-8-13(9-11-14)19(23)18-15-5-1-2-7-17(15)24-20(18)16-6-3-4-12-22-16/h1-12H.
What are the key properties of (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone?
(4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-pyridin-2-yl-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 122208620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).