1,2-dibromo-5-ethylnaphthalene

C12H10Br2 — CID 90925875

IUPAC1,2-dibromo-5-ethylnaphthalene
SMILESCCc1cccc2c(Br)c(Br)ccc12
InChIInChI=1S/C12H10Br2/c1-2-8-4-3-5-10-9(8)6-7-11(13)12(10)14/h3-7H,2H2,1H3
InChIKeyNVQISBAXVWGXDG-UHFFFAOYSA-N
MW314.02 g/mol
LogP4.93
Rot. Bonds1

About 1,2-dibromo-5-ethylnaphthalene

1,2-dibromo-5-ethylnaphthalene (PubChem CID 90925875) has the molecular formula C12H10Br2 and a molecular weight of 314.02 g/mol. Its IUPAC name is 1,2-dibromo-5-ethylnaphthalene.

Molecular Properties

Compound Name1,2-dibromo-5-ethylnaphthalene
PubChem CID90925875
Molecular FormulaC12H10Br2
Molecular Weight314.02 g/mol
Exact Mass311.91
IUPAC Name1,2-dibromo-5-ethylnaphthalene
SMILESCCc1cccc2c(Br)c(Br)ccc12
InChIInChI=1S/C12H10Br2/c1-2-8-4-3-5-10-9(8)6-7-11(13)12(10)14/h3-7H,2H2,1H3
InChIKeyNVQISBAXVWGXDG-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-5-ethylnaphthalene?
The IUPAC name of 1,2-dibromo-5-ethylnaphthalene (CID 90925875) is 1,2-dibromo-5-ethylnaphthalene.
What is the SMILES notation for 1,2-dibromo-5-ethylnaphthalene?
The canonical SMILES for 1,2-dibromo-5-ethylnaphthalene is CCc1cccc2c(Br)c(Br)ccc12.
What is the InChIKey of 1,2-dibromo-5-ethylnaphthalene?
The InChIKey is NVQISBAXVWGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2/c1-2-8-4-3-5-10-9(8)6-7-11(13)12(10)14/h3-7H,2H2,1H3.
What are the key properties of 1,2-dibromo-5-ethylnaphthalene?
1,2-dibromo-5-ethylnaphthalene has a molecular weight of 314.02 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-5-ethylnaphthalene is sourced from PubChem (CID 90925875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).