[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine

C13H11F3N2S — CID 102818650

IUPAC[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
SMILESNCc1cccc(Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyGRQYNJHVFBFWLD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.71
Rot. Bonds3

About [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine

[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine (PubChem CID 102818650) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
PubChem CID102818650
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
SMILESNCc1cccc(Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyGRQYNJHVFBFWLD-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine
CID 43528896
[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 82809594
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
2-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanamine
CID 63817914
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carbonitrile
CID 55156295
N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 55020982
3-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzoic acid
CID 62648414
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzonitrile
CID 102818339
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine
CID 169325510

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The IUPAC name of [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine (CID 102818650) is [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine is NCc1cccc(Sc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The InChIKey is GRQYNJHVFBFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2.
What are the key properties of [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine has a molecular weight of 284.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine is sourced from PubChem (CID 102818650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).