8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine

C15H15BrN2 — CID 25235287

IUPAC8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
SMILESCc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2
InChIInChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3
InChIKeyYBGLIPYAJPOYAD-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.48
Rot. Bonds

About 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine

8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine (PubChem CID 25235287) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
PubChem CID25235287
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
SMILESCc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2
InChIInChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3
InChIKeyYBGLIPYAJPOYAD-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine?
The IUPAC name of 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine (CID 25235287) is 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine.
What is the SMILES notation for 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine?
The canonical SMILES for 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine is Cc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2.
What is the InChIKey of 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine?
The InChIKey is YBGLIPYAJPOYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3.
What are the key properties of 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine?
8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine has a molecular weight of 303.20 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine is sourced from PubChem (CID 25235287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).