6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine

C12H10F2N2S — CID 80887480

IUPAC6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10F2N2S/c1-15-11-3-2-4-12(16-11)17-8-5-6-9(13)10(14)7-8/h2-7H,1H3,(H,15,16)
InChIKeyCACNCMBSDDCGIL-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.55
Rot. Bonds3

About 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine

6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 80887480) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID80887480
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10F2N2S/c1-15-11-3-2-4-12(16-11)17-8-5-6-9(13)10(14)7-8/h2-7H,1H3,(H,15,16)
InChIKeyCACNCMBSDDCGIL-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine (CID 80887480) is 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cccc(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is CACNCMBSDDCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c1-15-11-3-2-4-12(16-11)17-8-5-6-9(13)10(14)7-8/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine?
6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 252.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 80887480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).