6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine

C12H10F2N2OS — CID 43518948

IUPAC6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
SMILESCOc1nc(Sc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C12H10F2N2OS/c1-17-12-9(15)4-5-11(16-12)18-10-6-7(13)2-3-8(10)14/h2-6H,15H2,1H3
InChIKeyYEXUTPYDFAXVIU-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.10
Rot. Bonds3

About 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine

6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine (PubChem CID 43518948) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
PubChem CID43518948
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
SMILESCOc1nc(Sc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C12H10F2N2OS/c1-17-12-9(15)4-5-11(16-12)18-10-6-7(13)2-3-8(10)14/h2-6H,15H2,1H3
InChIKeyYEXUTPYDFAXVIU-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine (CID 43518948) is 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine is COc1nc(Sc2cc(F)ccc2F)ccc1N.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The InChIKey is YEXUTPYDFAXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-17-12-9(15)4-5-11(16-12)18-10-6-7(13)2-3-8(10)14/h2-6H,15H2,1H3.
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine has a molecular weight of 268.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine is sourced from PubChem (CID 43518948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).