4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine

C13H10BrF3N2 — CID 166636824

IUPAC4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine
SMILESFC(F)(F)C1(c2ccnc3c(Br)ccnc23)CCC1
InChIInChI=1S/C13H10BrF3N2/c14-9-3-7-18-10-8(2-6-19-11(9)10)12(4-1-5-12)13(15,16)17/h2-3,6-7H,1,4-5H2
InChIKeyWFSJNDPXVJSVJP-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.38
Rot. Bonds1

About 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine

4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine (PubChem CID 166636824) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.13 g/mol. Its IUPAC name is 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine
PubChem CID166636824
Molecular FormulaC13H10BrF3N2
Molecular Weight331.13 g/mol
Exact Mass330.00
IUPAC Name4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine
SMILESFC(F)(F)C1(c2ccnc3c(Br)ccnc23)CCC1
InChIInChI=1S/C13H10BrF3N2/c14-9-3-7-18-10-8(2-6-19-11(9)10)12(4-1-5-12)13(15,16)17/h2-3,6-7H,1,4-5H2
InChIKeyWFSJNDPXVJSVJP-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine?
The IUPAC name of 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine (CID 166636824) is 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine.
What is the SMILES notation for 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine?
The canonical SMILES for 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine is FC(F)(F)C1(c2ccnc3c(Br)ccnc23)CCC1.
What is the InChIKey of 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine?
The InChIKey is WFSJNDPXVJSVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-9-3-7-18-10-8(2-6-19-11(9)10)12(4-1-5-12)13(15,16)17/h2-3,6-7H,1,4-5H2.
What are the key properties of 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine?
4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine has a molecular weight of 331.13 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine is sourced from PubChem (CID 166636824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).