1-iodo-4-methylphthalazine

C9H7IN2 — CID 114619498

IUPAC1-iodo-4-methylphthalazine
SMILESCc1nnc(I)c2ccccc12
InChIInChI=1S/C9H7IN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
InChIKeyUYKPSGZXHWDGDA-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.54
Rot. Bonds

About 1-iodo-4-methylphthalazine

1-iodo-4-methylphthalazine (PubChem CID 114619498) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 1-iodo-4-methylphthalazine.

Molecular Properties

Compound Name1-iodo-4-methylphthalazine
PubChem CID114619498
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name1-iodo-4-methylphthalazine
SMILESCc1nnc(I)c2ccccc12
InChIInChI=1S/C9H7IN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
InChIKeyUYKPSGZXHWDGDA-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.54
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-iodo-4-methylphthalazine?
The IUPAC name of 1-iodo-4-methylphthalazine (CID 114619498) is 1-iodo-4-methylphthalazine.
What is the SMILES notation for 1-iodo-4-methylphthalazine?
The canonical SMILES for 1-iodo-4-methylphthalazine is Cc1nnc(I)c2ccccc12.
What is the InChIKey of 1-iodo-4-methylphthalazine?
The InChIKey is UYKPSGZXHWDGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3.
What are the key properties of 1-iodo-4-methylphthalazine?
1-iodo-4-methylphthalazine has a molecular weight of 270.07 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methylphthalazine is sourced from PubChem (CID 114619498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).