3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine

C9H10F3N3 — CID 118528088

IUPAC3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
SMILESNN1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-6-5-15(13)2-1-8(6)14-4-7/h3-4H,1-2,5,13H2
InChIKeyDYHWXVCFPWNAFI-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.33
Rot. Bonds

About 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine

3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine (PubChem CID 118528088) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
PubChem CID118528088
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
SMILESNN1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-6-5-15(13)2-1-8(6)14-4-7/h3-4H,1-2,5,13H2
InChIKeyDYHWXVCFPWNAFI-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine?
The IUPAC name of 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine (CID 118528088) is 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine?
The canonical SMILES for 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine is NN1CCc2ncc(C(F)(F)F)cc2C1.
What is the InChIKey of 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine?
The InChIKey is DYHWXVCFPWNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-3-6-5-15(13)2-1-8(6)14-4-7/h3-4H,1-2,5,13H2.
What are the key properties of 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine?
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine has a molecular weight of 217.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine is sourced from PubChem (CID 118528088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).