1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine

C13H12F2N2S — CID 80640038

IUPAC1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C13H12F2N2S/c1-16-7-9-2-5-13(17-8-9)18-10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3
InChIKeyBXASPYLKOHFHHC-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.23
Rot. Bonds4

About 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine

1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80640038) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80640038
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C13H12F2N2S/c1-16-7-9-2-5-13(17-8-9)18-10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3
InChIKeyBXASPYLKOHFHHC-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
CID 43345149
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
CID 162422933
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639848
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639477

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine (CID 80640038) is 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Sc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is BXASPYLKOHFHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c1-16-7-9-2-5-13(17-8-9)18-10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80640038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).