1-bromo-2-iodo-6-methylnaphthalene

C11H8BrI — CID 142890089

IUPAC1-bromo-2-iodo-6-methylnaphthalene
SMILESCc1ccc2c(Br)c(I)ccc2c1
InChIInChI=1S/C11H8BrI/c1-7-2-4-9-8(6-7)3-5-10(13)11(9)12/h2-6H,1H3
InChIKeyNYOSZDTWTPPLEO-UHFFFAOYSA-N
MW346.99 g/mol
LogP4.52
Rot. Bonds

About 1-bromo-2-iodo-6-methylnaphthalene

1-bromo-2-iodo-6-methylnaphthalene (PubChem CID 142890089) has the molecular formula C11H8BrI and a molecular weight of 346.99 g/mol. Its IUPAC name is 1-bromo-2-iodo-6-methylnaphthalene.

Molecular Properties

Compound Name1-bromo-2-iodo-6-methylnaphthalene
PubChem CID142890089
Molecular FormulaC11H8BrI
Molecular Weight346.99 g/mol
Exact Mass345.89
IUPAC Name1-bromo-2-iodo-6-methylnaphthalene
SMILESCc1ccc2c(Br)c(I)ccc2c1
InChIInChI=1S/C11H8BrI/c1-7-2-4-9-8(6-7)3-5-10(13)11(9)12/h2-6H,1H3
InChIKeyNYOSZDTWTPPLEO-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethylphenanthrene;ethane
CID 91503011
2-bromo-1,6-dimethylnaphthalene
CID 115057574
6-bromo-2-methylphenanthrene
CID 15159136
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789
1-iodo-2,6-dimethylanthracene
CID 137452245
2,9-dimethylpentacene
CID 11460950
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
3-iodo-1,6-dimethylisoquinoline
CID 143289425
2-ethyl-7-methylphenanthrene
CID 59758331
2,6-dimethylnaphthalene;propane
CID 142191183

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-iodo-6-methylnaphthalene?
The IUPAC name of 1-bromo-2-iodo-6-methylnaphthalene (CID 142890089) is 1-bromo-2-iodo-6-methylnaphthalene.
What is the SMILES notation for 1-bromo-2-iodo-6-methylnaphthalene?
The canonical SMILES for 1-bromo-2-iodo-6-methylnaphthalene is Cc1ccc2c(Br)c(I)ccc2c1.
What is the InChIKey of 1-bromo-2-iodo-6-methylnaphthalene?
The InChIKey is NYOSZDTWTPPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrI/c1-7-2-4-9-8(6-7)3-5-10(13)11(9)12/h2-6H,1H3.
What are the key properties of 1-bromo-2-iodo-6-methylnaphthalene?
1-bromo-2-iodo-6-methylnaphthalene has a molecular weight of 346.99 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-iodo-6-methylnaphthalene is sourced from PubChem (CID 142890089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).