3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol

C8H11F3N2O — CID 126763190

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(F)(F)F)=C(CN)C(O)N1
InChIInChI=1S/C8H11F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,7,13-14H,3,12H2,1H3
InChIKeyUCCUHYMZNNEIKM-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.63
Rot. Bonds1

About 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol (PubChem CID 126763190) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
PubChem CID126763190
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(F)(F)F)=C(CN)C(O)N1
InChIInChI=1S/C8H11F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,7,13-14H,3,12H2,1H3
InChIKeyUCCUHYMZNNEIKM-UHFFFAOYSA-N
XLogP0.63
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol (CID 126763190) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol is CC1=CC(C(F)(F)F)=C(CN)C(O)N1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
The InChIKey is UCCUHYMZNNEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,7,13-14H,3,12H2,1H3.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol has a molecular weight of 208.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 126763190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).