4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C7H6FIN2 — CID 129180671

IUPAC4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1[nH]c2cc(I)c(F)cc21
InChIInChI=1S/C7H6FIN2/c1-11-7-2-4(8)5(9)3-6(7)10-11/h2-3,10H,1H3
InChIKeyWKPFANVISDMCTQ-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.25
Rot. Bonds

About 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 129180671) has the molecular formula C7H6FIN2 and a molecular weight of 264.04 g/mol. Its IUPAC name is 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID129180671
Molecular FormulaC7H6FIN2
Molecular Weight264.04 g/mol
Exact Mass263.96
IUPAC Name4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1[nH]c2cc(I)c(F)cc21
InChIInChI=1S/C7H6FIN2/c1-11-7-2-4(8)5(9)3-6(7)10-11/h2-3,10H,1H3
InChIKeyWKPFANVISDMCTQ-UHFFFAOYSA-N
XLogP2.25
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 129180671) is 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is Cn1[nH]c2cc(I)c(F)cc21.
What is the InChIKey of 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is WKPFANVISDMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2/c1-11-7-2-4(8)5(9)3-6(7)10-11/h2-3,10H,1H3.
What are the key properties of 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 264.04 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-7-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 129180671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).