5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine

C12H10F3N3S — CID 66281341

IUPAC5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESCc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C12H10F3N3S/c1-7-4-9(16)11(18-5-7)19-10-3-2-8(6-17-10)12(13,14)15/h2-6H,16H2,1H3
InChIKeyHJAMBKWKLFPWRY-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.54
Rot. Bonds2

About 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine

5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (PubChem CID 66281341) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
PubChem CID66281341
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESCc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C12H10F3N3S/c1-7-4-9(16)11(18-5-7)19-10-3-2-8(6-17-10)12(13,14)15/h2-6H,16H2,1H3
InChIKeyHJAMBKWKLFPWRY-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The IUPAC name of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (CID 66281341) is 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is Cc1cnc(Sc2ccc(C(F)(F)F)cn2)c(N)c1.
What is the InChIKey of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The InChIKey is HJAMBKWKLFPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c1-7-4-9(16)11(18-5-7)19-10-3-2-8(6-17-10)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine has a molecular weight of 285.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is sourced from PubChem (CID 66281341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).