3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol

C20H10Br2I2O2 — CID 101493673

IUPAC3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol
SMILESOc1c(Br)cc2cc(I)ccc2c1-c1c(O)c(Br)cc2cc(I)ccc12
InChIInChI=1S/C20H10Br2I2O2/c21-15-7-9-5-11(23)1-3-13(9)17(19(15)25)18-14-4-2-12(24)6-10(14)8-16(22)20(18)26/h1-8,25-26H
InChIKeyYDAIPNPCHDMNGG-UHFFFAOYSA-N
MW695.91 g/mol
LogP7.81
Rot. Bonds1

About 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol

3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol (PubChem CID 101493673) has the molecular formula C20H10Br2I2O2 and a molecular weight of 695.91 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol
PubChem CID101493673
Molecular FormulaC20H10Br2I2O2
Molecular Weight695.91 g/mol
Exact Mass693.71
IUPAC Name3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol
SMILESOc1c(Br)cc2cc(I)ccc2c1-c1c(O)c(Br)cc2cc(I)ccc12
InChIInChI=1S/C20H10Br2I2O2/c21-15-7-9-5-11(23)1-3-13(9)17(19(15)25)18-14-4-2-12(24)6-10(14)8-16(22)20(18)26/h1-8,25-26H
InChIKeyYDAIPNPCHDMNGG-UHFFFAOYSA-N
XLogP7.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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7-iodoisoquinolin-4-ol
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3-[[12-[(2,3-dihydroxyphenyl)methylideneamino]-6,18-diiodo-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaenyl]iminomethyl]benzene-1,2-diol
CID 159726863
3-bromo-1-(2-tert-butyl-1H-indol-3-yl)naphthalen-2-ol
CID 165437801
1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
2-(3,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
CID 174804513
2-(3,5-dibromophenyl)-6-iodonaphthalene
CID 121450064
2-bromo-6-chloro-4-iodophenol
CID 102508152
2,7-dibromo-1,6-diiodopyrene
CID 142752006
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
(2-bromo-5-iodophenyl)boronic acid
CID 74892423

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol?
The IUPAC name of 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol (CID 101493673) is 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol.
What is the SMILES notation for 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol?
The canonical SMILES for 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol is Oc1c(Br)cc2cc(I)ccc2c1-c1c(O)c(Br)cc2cc(I)ccc12.
What is the InChIKey of 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol?
The InChIKey is YDAIPNPCHDMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2I2O2/c21-15-7-9-5-11(23)1-3-13(9)17(19(15)25)18-14-4-2-12(24)6-10(14)8-16(22)20(18)26/h1-8,25-26H.
What are the key properties of 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol?
3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol has a molecular weight of 695.91 g/mol, XLogP of 7.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol is sourced from PubChem (CID 101493673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).