[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine

C13H12F3N3S — CID 80639286

IUPAC[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3S/c1-8-4-9(5-17)6-19-12(8)20-11-3-2-10(7-18-11)13(14,15)16/h2-4,6-7H,5,17H2,1H3
InChIKeyNAXQGXQOADJTBQ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.41
Rot. Bonds3

About [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine

[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine (PubChem CID 80639286) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
PubChem CID80639286
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3S/c1-8-4-9(5-17)6-19-12(8)20-11-3-2-10(7-18-11)13(14,15)16/h2-4,6-7H,5,17H2,1H3
InChIKeyNAXQGXQOADJTBQ-UHFFFAOYSA-N
XLogP3.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine (CID 80639286) is [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine?
The InChIKey is NAXQGXQOADJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c1-8-4-9(5-17)6-19-12(8)20-11-3-2-10(7-18-11)13(14,15)16/h2-4,6-7H,5,17H2,1H3.
What are the key properties of [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine?
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine has a molecular weight of 299.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 80639286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).