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

C8H13Cl2F3N2O — CID 174775841

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride
SMILESCC1=CC(C(F)(F)F)=C(CN)C(O)N1.Cl.Cl
InChIInChI=1S/C8H11F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2,7,13-14H,3,12H2,1H3;2*1H
InChIKeyRDJVKUZSXOQFOY-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.47
Rot. Bonds1

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

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride (PubChem CID 174775841) has the molecular formula C8H13Cl2F3N2O and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride
PubChem CID174775841
Molecular FormulaC8H13Cl2F3N2O
Molecular Weight281.11 g/mol
Exact Mass280.04
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride
SMILESCC1=CC(C(F)(F)F)=C(CN)C(O)N1.Cl.Cl
InChIInChI=1S/C8H11F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2,7,13-14H,3,12H2,1H3;2*1H
InChIKeyRDJVKUZSXOQFOY-UHFFFAOYSA-N
XLogP1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.47
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;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride (CID 174775841) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride is CC1=CC(C(F)(F)F)=C(CN)C(O)N1.Cl.Cl.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride?
The InChIKey is RDJVKUZSXOQFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2,7,13-14H,3,12H2,1H3;2*1H.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride has a molecular weight of 281.11 g/mol, XLogP of 1.47, 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;dihydrochloride is sourced from PubChem (CID 174775841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).