2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine

C7H9F3N2 — CID 162544797

IUPAC2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
SMILESCC1N=C(N)C=CC1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-5(7(8,9)10)2-3-6(11)12-4/h2-5H,1H3,(H2,11,12)
InChIKeySVZZEPVGMMXWKP-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.48
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine

2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine (PubChem CID 162544797) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
PubChem CID162544797
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
SMILESCC1N=C(N)C=CC1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-5(7(8,9)10)2-3-6(11)12-4/h2-5H,1H3,(H2,11,12)
InChIKeySVZZEPVGMMXWKP-UHFFFAOYSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 67555171
3-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 118088109
2-methyl-N'-[(3S)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]propanimidamide
CID 156149008
2,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 176690486
2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine
CID 145440975
2-Methyl-2,3-dihydropyridin-6-amine
CID 89001586
3-Ethyl-2,3-dihydropyridin-6-amine
CID 153664862
N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide
CID 160877342
1,2,3-Trimethyl-2,3-dihydropyridin-1-ium-6-amine
CID 174251815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine (CID 162544797) is 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine is CC1N=C(N)C=CC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The InChIKey is SVZZEPVGMMXWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-5(7(8,9)10)2-3-6(11)12-4/h2-5H,1H3,(H2,11,12).
What are the key properties of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine has a molecular weight of 178.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 162544797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).