[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine

C13H12F2N2S — CID 80640130

IUPAC[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2S/c1-8-4-9(6-16)7-17-13(8)18-10-2-3-11(14)12(15)5-10/h2-5,7H,6,16H2,1H3
InChIKeyRIGTXXZRQRIALL-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.28
Rot. Bonds3

About [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine

[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine (PubChem CID 80640130) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
PubChem CID80640130
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2S/c1-8-4-9(6-16)7-17-13(8)18-10-2-3-11(14)12(15)5-10/h2-5,7H,6,16H2,1H3
InChIKeyRIGTXXZRQRIALL-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine (CID 80640130) is [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine?
The InChIKey is RIGTXXZRQRIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c1-8-4-9(6-16)7-17-13(8)18-10-2-3-11(14)12(15)5-10/h2-5,7H,6,16H2,1H3.
What are the key properties of [6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine?
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine has a molecular weight of 266.32 g/mol, XLogP of 3.28, 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-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80640130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).