8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

C24H24BrF3N2 — CID 118857257

IUPAC8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)c2ccc(-c3ncc(Br)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C24H24BrF3N2/c1-21(2)15-9-7-13(11-16(15)22(3,4)23(21,5)6)19-14-8-10-18(24(26,27)28)30-20(14)17(25)12-29-19/h7-12H,1-6H3
InChIKeyHIAFHHFYQUZOQC-UHFFFAOYSA-N
MW477.37 g/mol
LogP7.67
Rot. Bonds1

About 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 118857257) has the molecular formula C24H24BrF3N2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID118857257
Molecular FormulaC24H24BrF3N2
Molecular Weight477.37 g/mol
Exact Mass476.11
IUPAC Name8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)c2ccc(-c3ncc(Br)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C24H24BrF3N2/c1-21(2)15-9-7-13(11-16(15)22(3,4)23(21,5)6)19-14-8-10-18(24(26,27)28)30-20(14)17(25)12-29-19/h7-12H,1-6H3
InChIKeyHIAFHHFYQUZOQC-UHFFFAOYSA-N
XLogP7.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 118857257) is 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is CC1(C)c2ccc(-c3ncc(Br)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C.
What is the InChIKey of 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is HIAFHHFYQUZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrF3N2/c1-21(2)15-9-7-13(11-16(15)22(3,4)23(21,5)6)19-14-8-10-18(24(26,27)28)30-20(14)17(25)12-29-19/h7-12H,1-6H3.
What are the key properties of 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 477.37 g/mol, XLogP of 7.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 118857257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).