7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine

C9H10F3N3 — CID 176985460

IUPAC7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine
SMILESNN1CCCc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-4-7-6(5-14-8)2-1-3-15(7)13/h4-5H,1-3,13H2
InChIKeyLQLVNQLNUQITHB-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.73
Rot. Bonds

About 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine

7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine (PubChem CID 176985460) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine
PubChem CID176985460
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine
SMILESNN1CCCc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-4-7-6(5-14-8)2-1-3-15(7)13/h4-5H,1-3,13H2
InChIKeyLQLVNQLNUQITHB-UHFFFAOYSA-N
XLogP1.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine?
The IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine (CID 176985460) is 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine.
What is the SMILES notation for 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine?
The canonical SMILES for 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine is NN1CCCc2cnc(C(F)(F)F)cc21.
What is the InChIKey of 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine?
The InChIKey is LQLVNQLNUQITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)8-4-7-6(5-14-8)2-1-3-15(7)13/h4-5H,1-3,13H2.
What are the key properties of 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine?
7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine has a molecular weight of 217.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-amine is sourced from PubChem (CID 176985460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).