1-iodonaphthalene

C10H7I — CID 7004

IUPAC1-iodonaphthalene
SMILESIc1cccc2ccccc12
InChIInChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyNHPPIJMARIVBGU-UHFFFAOYSA-N
MW254.07 g/mol
LogP3.44
Rot. Bonds

About 1-iodonaphthalene

1-iodonaphthalene (PubChem CID 7004) has the molecular formula C10H7I and a molecular weight of 254.07 g/mol. Its IUPAC name is 1-iodonaphthalene.

Molecular Properties

Compound Name1-iodonaphthalene
PubChem CID7004
Molecular FormulaC10H7I
Molecular Weight254.07 g/mol
Exact Mass253.96
IUPAC Name1-iodonaphthalene
SMILESIc1cccc2ccccc12
InChIInChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyNHPPIJMARIVBGU-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 53.44
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

Naphthalene
CID 931
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
Acenaphthylene
CID 9161
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
1,2-Dimethylnaphthalene
CID 11317
1,7-Dimethylnaphthalene
CID 11326
2-Benzyltoluene
CID 69738
1,2-Dihydronaphthalene
CID 9938

Frequently Asked Questions

What is the IUPAC name of 1-iodonaphthalene?
The IUPAC name of 1-iodonaphthalene (CID 7004) is 1-iodonaphthalene.
What is the SMILES notation for 1-iodonaphthalene?
The canonical SMILES for 1-iodonaphthalene is Ic1cccc2ccccc12.
What is the InChIKey of 1-iodonaphthalene?
The InChIKey is NHPPIJMARIVBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-iodonaphthalene?
1-iodonaphthalene has a molecular weight of 254.07 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonaphthalene is sourced from PubChem (CID 7004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).