7-fluoro-6-iodoquinazoline

C8H4FIN2 — CID 141012684

IUPAC7-fluoro-6-iodoquinazoline
SMILESFc1cc2ncncc2cc1I
InChIInChI=1S/C8H4FIN2/c9-6-2-8-5(1-7(6)10)3-11-4-12-8/h1-4H
InChIKeyNQVDDCAQCIZMRE-UHFFFAOYSA-N
MW274.04 g/mol
LogP2.37
Rot. Bonds

About 7-fluoro-6-iodoquinazoline

7-fluoro-6-iodoquinazoline (PubChem CID 141012684) has the molecular formula C8H4FIN2 and a molecular weight of 274.04 g/mol. Its IUPAC name is 7-fluoro-6-iodoquinazoline.

Molecular Properties

Compound Name7-fluoro-6-iodoquinazoline
PubChem CID141012684
Molecular FormulaC8H4FIN2
Molecular Weight274.04 g/mol
Exact Mass273.94
IUPAC Name7-fluoro-6-iodoquinazoline
SMILESFc1cc2ncncc2cc1I
InChIInChI=1S/C8H4FIN2/c9-6-2-8-5(1-7(6)10)3-11-4-12-8/h1-4H
InChIKeyNQVDDCAQCIZMRE-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.04
LogP ≤ 52.37
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 7-fluoro-6-iodoquinazoline?
The IUPAC name of 7-fluoro-6-iodoquinazoline (CID 141012684) is 7-fluoro-6-iodoquinazoline.
What is the SMILES notation for 7-fluoro-6-iodoquinazoline?
The canonical SMILES for 7-fluoro-6-iodoquinazoline is Fc1cc2ncncc2cc1I.
What is the InChIKey of 7-fluoro-6-iodoquinazoline?
The InChIKey is NQVDDCAQCIZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2/c9-6-2-8-5(1-7(6)10)3-11-4-12-8/h1-4H.
What are the key properties of 7-fluoro-6-iodoquinazoline?
7-fluoro-6-iodoquinazoline has a molecular weight of 274.04 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-iodoquinazoline is sourced from PubChem (CID 141012684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).