4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine

C9H11F3N2 — CID 166870865

IUPAC4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(N)nc(C)c1CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-5-3-8(13)14-6(2)7(5)4-9(10,11)12/h3H,4H2,1-2H3,(H2,13,14)
InChIKeyNGJVEUCCSRSXLS-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.39
Rot. Bonds1

About 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine

4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 166870865) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID166870865
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(N)nc(C)c1CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-5-3-8(13)14-6(2)7(5)4-9(10,11)12/h3H,4H2,1-2H3,(H2,13,14)
InChIKeyNGJVEUCCSRSXLS-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 166870865) is 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine is Cc1cc(N)nc(C)c1CC(F)(F)F.
What is the InChIKey of 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is NGJVEUCCSRSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-5-3-8(13)14-6(2)7(5)4-9(10,11)12/h3H,4H2,1-2H3,(H2,13,14).
What are the key properties of 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine?
4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 204.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 166870865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).