1-iodophthalazine

C8H5IN2 — CID 13126703

IUPAC1-iodophthalazine
SMILESIc1nncc2ccccc12
InChIInChI=1S/C8H5IN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChIKeyFOTFBXCFJFVJSS-UHFFFAOYSA-N
MW256.05 g/mol
LogP2.23
Rot. Bonds

About 1-iodophthalazine

1-iodophthalazine (PubChem CID 13126703) has the molecular formula C8H5IN2 and a molecular weight of 256.05 g/mol. Its IUPAC name is 1-iodophthalazine.

Molecular Properties

Compound Name1-iodophthalazine
PubChem CID13126703
Molecular FormulaC8H5IN2
Molecular Weight256.05 g/mol
Exact Mass255.95
IUPAC Name1-iodophthalazine
SMILESIc1nncc2ccccc12
InChIInChI=1S/C8H5IN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChIKeyFOTFBXCFJFVJSS-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 1-iodophthalazine?
The IUPAC name of 1-iodophthalazine (CID 13126703) is 1-iodophthalazine.
What is the SMILES notation for 1-iodophthalazine?
The canonical SMILES for 1-iodophthalazine is Ic1nncc2ccccc12.
What is the InChIKey of 1-iodophthalazine?
The InChIKey is FOTFBXCFJFVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H.
What are the key properties of 1-iodophthalazine?
1-iodophthalazine has a molecular weight of 256.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodophthalazine is sourced from PubChem (CID 13126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).