2-bromo-1-chloro-8-iodonaphthalene

C10H5BrClI — CID 164839272

IUPAC2-bromo-1-chloro-8-iodonaphthalene
SMILESClc1c(Br)ccc2cccc(I)c12
InChIInChI=1S/C10H5BrClI/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5H
InChIKeyUECNHZQVJIJQLL-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.86
Rot. Bonds

About 2-bromo-1-chloro-8-iodonaphthalene

2-bromo-1-chloro-8-iodonaphthalene (PubChem CID 164839272) has the molecular formula C10H5BrClI and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-bromo-1-chloro-8-iodonaphthalene.

Molecular Properties

Compound Name2-bromo-1-chloro-8-iodonaphthalene
PubChem CID164839272
Molecular FormulaC10H5BrClI
Molecular Weight367.41 g/mol
Exact Mass365.83
IUPAC Name2-bromo-1-chloro-8-iodonaphthalene
SMILESClc1c(Br)ccc2cccc(I)c12
InChIInChI=1S/C10H5BrClI/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5H
InChIKeyUECNHZQVJIJQLL-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.86
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

1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene
CID 155477112
3-bromo-2-chloro-6-iodoaniline
CID 106701622
2-bromonaphthalene-1,8-diol
CID 23297382
1,12-dibromo-2,3-dichlorobenzo[c]phenanthrene
CID 141434440
1-bromo-7,8,9,10-tetraphenylfluoranthene
CID 151551095
1,2-dibromo-4,8-diiodonaphthalene
CID 141193260
pyrene;dihydrobromide
CID 172822251
1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
CID 159979643
pyrene;zirconium
CID 175873743
3-bromobenzo[e]pyrene
CID 12727091
8-chloro-7-fluoronaphthalen-1-ol
CID 139451208
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-8-iodonaphthalene?
The IUPAC name of 2-bromo-1-chloro-8-iodonaphthalene (CID 164839272) is 2-bromo-1-chloro-8-iodonaphthalene.
What is the SMILES notation for 2-bromo-1-chloro-8-iodonaphthalene?
The canonical SMILES for 2-bromo-1-chloro-8-iodonaphthalene is Clc1c(Br)ccc2cccc(I)c12.
What is the InChIKey of 2-bromo-1-chloro-8-iodonaphthalene?
The InChIKey is UECNHZQVJIJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClI/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5H.
What are the key properties of 2-bromo-1-chloro-8-iodonaphthalene?
2-bromo-1-chloro-8-iodonaphthalene has a molecular weight of 367.41 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-8-iodonaphthalene is sourced from PubChem (CID 164839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).