7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

C9H9F3N2 — CID 69266032

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESFC(F)(F)c1cnc2c(c1)NCCC2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-4-8-7(14-5-6)2-1-3-13-8/h4-5,13H,1-3H2
InChIKeyHHPPBMRYOABBPZ-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.46
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 69266032) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID69266032
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESFC(F)(F)c1cnc2c(c1)NCCC2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-4-8-7(14-5-6)2-1-3-13-8/h4-5,13H,1-3H2
InChIKeyHHPPBMRYOABBPZ-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 69266032) is 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is FC(F)(F)c1cnc2c(c1)NCCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is HHPPBMRYOABBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)6-4-8-7(14-5-6)2-1-3-13-8/h4-5,13H,1-3H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 202.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 69266032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).