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

C7H9F3N2 — CID 137468450

IUPAC6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine
SMILESCC1=C(N)C=C(C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2,12H,3,11H2,1H3
InChIKeyKQLWQPZLFUJIEN-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.27
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine

6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine (PubChem CID 137468450) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine
PubChem CID137468450
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine
SMILESCC1=C(N)C=C(C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2,12H,3,11H2,1H3
InChIKeyKQLWQPZLFUJIEN-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 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine (CID 137468450) is 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine is CC1=C(N)C=C(C(F)(F)F)CN1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is KQLWQPZLFUJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2,12H,3,11H2,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine?
6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-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 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 137468450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).