N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine

C13H12F3N3S — CID 79239135

IUPACN-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H12F3N3S/c1-17-11-4-2-3-10(19-11)8-20-12-6-5-9(7-18-12)13(14,15)16/h2-7H,8H2,1H3,(H,17,19)
InChIKeyVAZPGRKOAXLURQ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.83
Rot. Bonds4

About N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine

N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine (PubChem CID 79239135) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
PubChem CID79239135
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC NameN-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H12F3N3S/c1-17-11-4-2-3-10(19-11)8-20-12-6-5-9(7-18-12)13(14,15)16/h2-7H,8H2,1H3,(H,17,19)
InChIKeyVAZPGRKOAXLURQ-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine (CID 79239135) is N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine is CNc1cccc(CSc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine?
The InChIKey is VAZPGRKOAXLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c1-17-11-4-2-3-10(19-11)8-20-12-6-5-9(7-18-12)13(14,15)16/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine?
N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine has a molecular weight of 299.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 79239135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).