1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one

C14H12FNOS — CID 112583940

IUPAC1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Sc2ccccc2F)cn1
InChIInChI=1S/C14H12FNOS/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9H,2H2,1H3
InChIKeySKCHLEXKDFNGHB-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.96
Rot. Bonds4

About 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one

1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one (PubChem CID 112583940) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
PubChem CID112583940
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Sc2ccccc2F)cn1
InChIInChI=1S/C14H12FNOS/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9H,2H2,1H3
InChIKeySKCHLEXKDFNGHB-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134
1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939142
1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
CID 112583931
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
2-[2-[(6-propanoyl-3-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 115938820
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one (CID 112583940) is 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(Sc2ccccc2F)cn1.
What is the InChIKey of 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one?
The InChIKey is SKCHLEXKDFNGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9H,2H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one?
1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one has a molecular weight of 261.32 g/mol, XLogP of 3.96, 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)sulfanyl-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).