7-iodonaphthalene-1,3-diol

C10H7IO2 — CID 176890151

IUPAC7-iodonaphthalene-1,3-diol
SMILESOc1cc(O)c2cc(I)ccc2c1
InChIInChI=1S/C10H7IO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-5,12-13H
InChIKeyJMCSPXJKPILXCH-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.86
Rot. Bonds

About 7-iodonaphthalene-1,3-diol

7-iodonaphthalene-1,3-diol (PubChem CID 176890151) has the molecular formula C10H7IO2 and a molecular weight of 286.07 g/mol. Its IUPAC name is 7-iodonaphthalene-1,3-diol.

Molecular Properties

Compound Name7-iodonaphthalene-1,3-diol
PubChem CID176890151
Molecular FormulaC10H7IO2
Molecular Weight286.07 g/mol
Exact Mass285.95
IUPAC Name7-iodonaphthalene-1,3-diol
SMILESOc1cc(O)c2cc(I)ccc2c1
InChIInChI=1S/C10H7IO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-5,12-13H
InChIKeyJMCSPXJKPILXCH-UHFFFAOYSA-N
XLogP2.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodonaphthalene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
CID 163233006
1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
3-aminonaphthalene-1,7-diol
CID 105435991
phenanthrene-2,4-diol
CID 640647
3,6-diiodoacridine
CID 634773
actinium;2,5-diiodophenol
CID 59887168
7-iodoisoquinolin-4-ol
CID 151672694
7-iodo-3-methylnaphthalene-1-sulfonic acid
CID 90369019
4,6-dimethylnaphthalen-2-ol
CID 56931272
6-iodo-1-benzofuran-3-ol
CID 123196484
6-(dimethylamino)-4-methylnaphthalen-2-ol
CID 129179748
2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
CID 174804512

Frequently Asked Questions

What is the IUPAC name of 7-iodonaphthalene-1,3-diol?
The IUPAC name of 7-iodonaphthalene-1,3-diol (CID 176890151) is 7-iodonaphthalene-1,3-diol.
What is the SMILES notation for 7-iodonaphthalene-1,3-diol?
The canonical SMILES for 7-iodonaphthalene-1,3-diol is Oc1cc(O)c2cc(I)ccc2c1.
What is the InChIKey of 7-iodonaphthalene-1,3-diol?
The InChIKey is JMCSPXJKPILXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-5,12-13H.
What are the key properties of 7-iodonaphthalene-1,3-diol?
7-iodonaphthalene-1,3-diol has a molecular weight of 286.07 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodonaphthalene-1,3-diol is sourced from PubChem (CID 176890151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).