2,4-dihydroxy-6-iodobenzonitrile

C7H4INO2 — CID 146369970

IUPAC2,4-dihydroxy-6-iodobenzonitrile
SMILESN#Cc1c(O)cc(O)cc1I
InChIInChI=1S/C7H4INO2/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2,10-11H
InChIKeyIDEMQKZMXDQCKZ-UHFFFAOYSA-N
MW261.02 g/mol
LogP1.57
Rot. Bonds

About 2,4-dihydroxy-6-iodobenzonitrile

2,4-dihydroxy-6-iodobenzonitrile (PubChem CID 146369970) has the molecular formula C7H4INO2 and a molecular weight of 261.02 g/mol. Its IUPAC name is 2,4-dihydroxy-6-iodobenzonitrile.

Molecular Properties

Compound Name2,4-dihydroxy-6-iodobenzonitrile
PubChem CID146369970
Molecular FormulaC7H4INO2
Molecular Weight261.02 g/mol
Exact Mass260.93
IUPAC Name2,4-dihydroxy-6-iodobenzonitrile
SMILESN#Cc1c(O)cc(O)cc1I
InChIInChI=1S/C7H4INO2/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2,10-11H
InChIKeyIDEMQKZMXDQCKZ-UHFFFAOYSA-N
XLogP1.57
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-iodobenzonitrile?
The IUPAC name of 2,4-dihydroxy-6-iodobenzonitrile (CID 146369970) is 2,4-dihydroxy-6-iodobenzonitrile.
What is the SMILES notation for 2,4-dihydroxy-6-iodobenzonitrile?
The canonical SMILES for 2,4-dihydroxy-6-iodobenzonitrile is N#Cc1c(O)cc(O)cc1I.
What is the InChIKey of 2,4-dihydroxy-6-iodobenzonitrile?
The InChIKey is IDEMQKZMXDQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INO2/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2,10-11H.
What are the key properties of 2,4-dihydroxy-6-iodobenzonitrile?
2,4-dihydroxy-6-iodobenzonitrile has a molecular weight of 261.02 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-iodobenzonitrile is sourced from PubChem (CID 146369970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).