2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine

C8H11F3N2O — CID 129216591

IUPAC2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
SMILESCC1(N)NC=CC=C1OCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(12)6(3-2-4-13-7)14-5-8(9,10)11/h2-4,13H,5,12H2,1H3
InChIKeyVMHLNQQFTSKUHY-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine

2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine (PubChem CID 129216591) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
PubChem CID129216591
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
SMILESCC1(N)NC=CC=C1OCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(12)6(3-2-4-13-7)14-5-8(9,10)11/h2-4,13H,5,12H2,1H3
InChIKeyVMHLNQQFTSKUHY-UHFFFAOYSA-N
XLogP1.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine (CID 129216591) is 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine is CC1(N)NC=CC=C1OCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine?
The InChIKey is VMHLNQQFTSKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(12)6(3-2-4-13-7)14-5-8(9,10)11/h2-4,13H,5,12H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine?
2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine has a molecular weight of 208.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine is sourced from PubChem (CID 129216591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).