6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine

C7H7F3N2S — CID 131217692

IUPAC6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESCSc1ncc(N)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c1-13-6-5(7(8,9)10)2-4(11)3-12-6/h2-3H,11H2,1H3
InChIKeyCNEVXCZEORDIKZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.40
Rot. Bonds1

About 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine

6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 131217692) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID131217692
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
SMILESCSc1ncc(N)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c1-13-6-5(7(8,9)10)2-4(11)3-12-6/h2-3H,11H2,1H3
InChIKeyCNEVXCZEORDIKZ-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine (CID 131217692) is 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine is CSc1ncc(N)cc1C(F)(F)F.
What is the InChIKey of 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is CNEVXCZEORDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-13-6-5(7(8,9)10)2-4(11)3-12-6/h2-3H,11H2,1H3.
What are the key properties of 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine?
6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 208.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 131217692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).