2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene

C10H7Br — CID 89310078

IUPAC2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(Br)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKeyAPSMUYYLXZULMS-GSNKEKJESA-N
MW214.11 g/mol
LogP3.60
Rot. Bonds

About 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene

2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene (PubChem CID 89310078) has the molecular formula C10H7Br and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene.

Molecular Properties

Compound Name2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
PubChem CID89310078
Molecular FormulaC10H7Br
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(Br)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKeyAPSMUYYLXZULMS-GSNKEKJESA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene?
The IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene (CID 89310078) is 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene.
What is the SMILES notation for 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene?
The canonical SMILES for 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene is [2H]c1c([2H])c([2H])c2c([2H])c(Br)c([2H])c([2H])c2c1[2H].
What is the InChIKey of 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene?
The InChIKey is APSMUYYLXZULMS-GSNKEKJESA-N. The full InChI is InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i1D,2D,3D,4D,5D,6D,7D.
What are the key properties of 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene?
2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene has a molecular weight of 214.11 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene is sourced from PubChem (CID 89310078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).