3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine

C13H10Cl2F2N2S — CID 102761292

IUPAC3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
SMILESCCNc1nc(Sc2ccc(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F2N2S/c1-2-18-12-8(14)6-9(15)13(19-12)20-11-4-3-7(16)5-10(11)17/h3-6H,2H2,1H3,(H,18,19)
InChIKeyCBSYUXIHNIVECD-UHFFFAOYSA-N
MW335.21 g/mol
LogP5.25
Rot. Bonds4

About 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine

3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine (PubChem CID 102761292) has the molecular formula C13H10Cl2F2N2S and a molecular weight of 335.21 g/mol. Its IUPAC name is 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
PubChem CID102761292
Molecular FormulaC13H10Cl2F2N2S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
SMILESCCNc1nc(Sc2ccc(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F2N2S/c1-2-18-12-8(14)6-9(15)13(19-12)20-11-4-3-7(16)5-10(11)17/h3-6H,2H2,1H3,(H,18,19)
InChIKeyCBSYUXIHNIVECD-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
3,5-dichloro-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761451
3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761494
3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
CID 102761558

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine (CID 102761292) is 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine is CCNc1nc(Sc2ccc(F)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine?
The InChIKey is CBSYUXIHNIVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F2N2S/c1-2-18-12-8(14)6-9(15)13(19-12)20-11-4-3-7(16)5-10(11)17/h3-6H,2H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine?
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine has a molecular weight of 335.21 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 102761292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).