1,2,7-tribromonaphthalene

C10H5Br3 — CID 150191333

IUPAC1,2,7-tribromonaphthalene
SMILESBrc1ccc2ccc(Br)c(Br)c2c1
InChIInChI=1S/C10H5Br3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H
InChIKeyFNMRJGDUAPHHKU-UHFFFAOYSA-N
MW364.86 g/mol
LogP5.13
Rot. Bonds

About 1,2,7-tribromonaphthalene

1,2,7-tribromonaphthalene (PubChem CID 150191333) has the molecular formula C10H5Br3 and a molecular weight of 364.86 g/mol. Its IUPAC name is 1,2,7-tribromonaphthalene.

Molecular Properties

Compound Name1,2,7-tribromonaphthalene
PubChem CID150191333
Molecular FormulaC10H5Br3
Molecular Weight364.86 g/mol
Exact Mass361.79
IUPAC Name1,2,7-tribromonaphthalene
SMILESBrc1ccc2ccc(Br)c(Br)c2c1
InChIInChI=1S/C10H5Br3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H
InChIKeyFNMRJGDUAPHHKU-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.86
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,7-tribromonaphthalene?
The IUPAC name of 1,2,7-tribromonaphthalene (CID 150191333) is 1,2,7-tribromonaphthalene.
What is the SMILES notation for 1,2,7-tribromonaphthalene?
The canonical SMILES for 1,2,7-tribromonaphthalene is Brc1ccc2ccc(Br)c(Br)c2c1.
What is the InChIKey of 1,2,7-tribromonaphthalene?
The InChIKey is FNMRJGDUAPHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H.
What are the key properties of 1,2,7-tribromonaphthalene?
1,2,7-tribromonaphthalene has a molecular weight of 364.86 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7-tribromonaphthalene is sourced from PubChem (CID 150191333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).