1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone

C17H12FNOS — CID 161244329

IUPAC1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H12FNOS/c18-14-4-2-1-3-13(14)16-5-6-17(21-16)15(20)11-12-7-9-19-10-8-12/h1-10H,11H2
InChIKeyVAKUSEFXVTWWAH-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.37
Rot. Bonds4

About 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone

1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone (PubChem CID 161244329) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone
PubChem CID161244329
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H12FNOS/c18-14-4-2-1-3-13(14)16-5-6-17(21-16)15(20)11-12-7-9-19-10-8-12/h1-10H,11H2
InChIKeyVAKUSEFXVTWWAH-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
CID 43154054
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800
1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
CID 61077384
N-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 34955469
1-[5-(2,3-difluorophenyl)thiophen-2-yl]butan-1-one
CID 61077202
5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 95198544
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
5-[3-[5-[2-(2,6-difluorophenyl)acetyl]thiophen-2-yl]-2-ethylphenyl]-3-methyl-1,3,4-oxadiazol-2-one
CID 162106420
N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 46546636
N-[2-(2-fluorophenyl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 110468157
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate
CID 86979994
N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 86971410

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone (CID 161244329) is 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone?
The InChIKey is VAKUSEFXVTWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-14-4-2-1-3-13(14)16-5-6-17(21-16)15(20)11-12-7-9-19-10-8-12/h1-10H,11H2.
What are the key properties of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone?
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone has a molecular weight of 297.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 161244329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).