6-hydroxy-8-iodonaphthalene-1-carbonitrile

C11H6INO — CID 170185946

IUPAC6-hydroxy-8-iodonaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cc(O)cc(I)c12
InChIInChI=1S/C11H6INO/c12-10-5-9(14)4-7-2-1-3-8(6-13)11(7)10/h1-5,14H
InChIKeyIDRSXTSEPKOTBT-UHFFFAOYSA-N
MW295.08 g/mol
LogP3.02
Rot. Bonds

About 6-hydroxy-8-iodonaphthalene-1-carbonitrile

6-hydroxy-8-iodonaphthalene-1-carbonitrile (PubChem CID 170185946) has the molecular formula C11H6INO and a molecular weight of 295.08 g/mol. Its IUPAC name is 6-hydroxy-8-iodonaphthalene-1-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-8-iodonaphthalene-1-carbonitrile
PubChem CID170185946
Molecular FormulaC11H6INO
Molecular Weight295.08 g/mol
Exact Mass294.95
IUPAC Name6-hydroxy-8-iodonaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cc(O)cc(I)c12
InChIInChI=1S/C11H6INO/c12-10-5-9(14)4-7-2-1-3-8(6-13)11(7)10/h1-5,14H
InChIKeyIDRSXTSEPKOTBT-UHFFFAOYSA-N
XLogP3.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-iodonaphthalene-1-carbonitrile?
The IUPAC name of 6-hydroxy-8-iodonaphthalene-1-carbonitrile (CID 170185946) is 6-hydroxy-8-iodonaphthalene-1-carbonitrile.
What is the SMILES notation for 6-hydroxy-8-iodonaphthalene-1-carbonitrile?
The canonical SMILES for 6-hydroxy-8-iodonaphthalene-1-carbonitrile is N#Cc1cccc2cc(O)cc(I)c12.
What is the InChIKey of 6-hydroxy-8-iodonaphthalene-1-carbonitrile?
The InChIKey is IDRSXTSEPKOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6INO/c12-10-5-9(14)4-7-2-1-3-8(6-13)11(7)10/h1-5,14H.
What are the key properties of 6-hydroxy-8-iodonaphthalene-1-carbonitrile?
6-hydroxy-8-iodonaphthalene-1-carbonitrile has a molecular weight of 295.08 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-iodonaphthalene-1-carbonitrile is sourced from PubChem (CID 170185946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).