2-(chloromethyl)-6-iodonaphthalene

C11H8ClI — CID 124706982

IUPAC2-(chloromethyl)-6-iodonaphthalene
SMILESClCc1ccc2cc(I)ccc2c1
InChIInChI=1S/C11H8ClI/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2
InChIKeyBTFNZJVYZWXGDH-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.18
Rot. Bonds1

About 2-(chloromethyl)-6-iodonaphthalene

2-(chloromethyl)-6-iodonaphthalene (PubChem CID 124706982) has the molecular formula C11H8ClI and a molecular weight of 302.54 g/mol. Its IUPAC name is 2-(chloromethyl)-6-iodonaphthalene.

Molecular Properties

Compound Name2-(chloromethyl)-6-iodonaphthalene
PubChem CID124706982
Molecular FormulaC11H8ClI
Molecular Weight302.54 g/mol
Exact Mass301.94
IUPAC Name2-(chloromethyl)-6-iodonaphthalene
SMILESClCc1ccc2cc(I)ccc2c1
InChIInChI=1S/C11H8ClI/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2
InChIKeyBTFNZJVYZWXGDH-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
2,7-bis(chloromethyl)phenanthrene
CID 139627451
1-(chloromethyl)-3-iodobenzene
CID 13059978
2,7-bis(chloromethyl)pyrene
CID 139627450
2-iodo-7-propylphenanthrene
CID 22044694
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
2,7-bis(chloromethyl)acridine
CID 132525566
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
2-bromo-4-(chloromethyl)-1-iodobenzene
CID 19261558
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
CID 71814531
5-(chloromethyl)-1-benzofuran
CID 54069342
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-iodonaphthalene?
The IUPAC name of 2-(chloromethyl)-6-iodonaphthalene (CID 124706982) is 2-(chloromethyl)-6-iodonaphthalene.
What is the SMILES notation for 2-(chloromethyl)-6-iodonaphthalene?
The canonical SMILES for 2-(chloromethyl)-6-iodonaphthalene is ClCc1ccc2cc(I)ccc2c1.
What is the InChIKey of 2-(chloromethyl)-6-iodonaphthalene?
The InChIKey is BTFNZJVYZWXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClI/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-6-iodonaphthalene?
2-(chloromethyl)-6-iodonaphthalene has a molecular weight of 302.54 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-iodonaphthalene is sourced from PubChem (CID 124706982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).