4-iodo-6-phenylpyrimidine

C10H7IN2 — CID 817368

IUPAC4-iodo-6-phenylpyrimidine
SMILESIc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyZTCJXHNJVLUUMR-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.75
Rot. Bonds1

About 4-iodo-6-phenylpyrimidine

4-iodo-6-phenylpyrimidine (PubChem CID 817368) has the molecular formula C10H7IN2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 4-iodo-6-phenylpyrimidine.

Molecular Properties

Compound Name4-iodo-6-phenylpyrimidine
PubChem CID817368
Molecular FormulaC10H7IN2
Molecular Weight282.08 g/mol
Exact Mass281.97
IUPAC Name4-iodo-6-phenylpyrimidine
SMILESIc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyZTCJXHNJVLUUMR-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.75
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 4-iodo-6-phenylpyrimidine?
The IUPAC name of 4-iodo-6-phenylpyrimidine (CID 817368) is 4-iodo-6-phenylpyrimidine.
What is the SMILES notation for 4-iodo-6-phenylpyrimidine?
The canonical SMILES for 4-iodo-6-phenylpyrimidine is Ic1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-iodo-6-phenylpyrimidine?
The InChIKey is ZTCJXHNJVLUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-iodo-6-phenylpyrimidine?
4-iodo-6-phenylpyrimidine has a molecular weight of 282.08 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-phenylpyrimidine is sourced from PubChem (CID 817368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).