3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine

C9H9F3N2 — CID 67319476

IUPAC3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine
SMILESFC(F)(F)C1C=NC2=CCNCC2=C1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7/h1,3,5,7,13H,2,4H2
InChIKeyBYLJMTIOAKNHEZ-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.66
Rot. Bonds

About 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine

3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine (PubChem CID 67319476) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine
PubChem CID67319476
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine
SMILESFC(F)(F)C1C=NC2=CCNCC2=C1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7/h1,3,5,7,13H,2,4H2
InChIKeyBYLJMTIOAKNHEZ-UHFFFAOYSA-N
XLogP1.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine (CID 67319476) is 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine is FC(F)(F)C1C=NC2=CCNCC2=C1.
What is the InChIKey of 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine?
The InChIKey is BYLJMTIOAKNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7/h1,3,5,7,13H,2,4H2.
What are the key properties of 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine?
3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine has a molecular weight of 202.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 67319476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).