(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine

C13H12F2N2S — CID 83123417

IUPAC(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N2S/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyBHSOPUMIZBJMGA-MRVPVSSYSA-N
MW266.32 g/mol
LogP3.53
Rot. Bonds3

About (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine

(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine (PubChem CID 83123417) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
PubChem CID83123417
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N2S/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyBHSOPUMIZBJMGA-MRVPVSSYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123407
1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123718
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520
2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123179
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83124060
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
CID 83124206
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine
CID 107750761

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine (CID 83123417) is (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(Sc2ccc(F)cc2F)cn1.
What is the InChIKey of (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The InChIKey is BHSOPUMIZBJMGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine?
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).