2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine

C13H12F2N2S — CID 80650709

IUPAC2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Sc2ccc(F)cc2F)nc1
InChIInChI=1S/C13H12F2N2S/c14-10-2-3-12(11(15)7-10)18-13-4-1-9(5-6-16)8-17-13/h1-4,7-8H,5-6,16H2
InChIKeyQGQZRYVOBLJCPN-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.01
Rot. Bonds4

About 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine

2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine (PubChem CID 80650709) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
PubChem CID80650709
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Sc2ccc(F)cc2F)nc1
InChIInChI=1S/C13H12F2N2S/c14-10-2-3-12(11(15)7-10)18-13-4-1-9(5-6-16)8-17-13/h1-4,7-8H,5-6,16H2
InChIKeyQGQZRYVOBLJCPN-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,5-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80651796
2-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanamine
CID 63817914
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 80644250
2-(6-fluoro-3-pyridinyl)ethanamine
CID 55253622
2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine
CID 80644339
2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine
CID 80644157
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
2-[2-(3-fluorophenyl)sulfanylpyrimidin-5-yl]ethanamine
CID 113388787
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
CID 87770733
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
2-[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63818702

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine (CID 80650709) is 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine is NCCc1ccc(Sc2ccc(F)cc2F)nc1.
What is the InChIKey of 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine?
The InChIKey is QGQZRYVOBLJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-10-2-3-12(11(15)7-10)18-13-4-1-9(5-6-16)8-17-13/h1-4,7-8H,5-6,16H2.
What are the key properties of 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine?
2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80650709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).