3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C7H9F3N2 — CID 89073813

IUPAC3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCC1=CC(C(F)(F)F)=CNC1N
InChIInChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)3-12-6(4)11/h2-3,6,12H,11H2,1H3
InChIKeyQBUQYHPDYPHMAT-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.27
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine

3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 89073813) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID89073813
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCC1=CC(C(F)(F)F)=CNC1N
InChIInChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)3-12-6(4)11/h2-3,6,12H,11H2,1H3
InChIKeyQBUQYHPDYPHMAT-UHFFFAOYSA-N
XLogP1.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 89073813) is 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine is CC1=CC(C(F)(F)F)=CNC1N.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is QBUQYHPDYPHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)3-12-6(4)11/h2-3,6,12H,11H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 178.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 89073813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).