4-(difluoromethyl)-5-iodoisoquinoline

C10H6F2IN — CID 126661223

IUPAC4-(difluoromethyl)-5-iodoisoquinoline
SMILESFC(F)c1cncc2cccc(I)c12
InChIInChI=1S/C10H6F2IN/c11-10(12)7-5-14-4-6-2-1-3-8(13)9(6)7/h1-5,10H
InChIKeySZGWSAHDZFBCGY-UHFFFAOYSA-N
MW305.06 g/mol
LogP3.78
Rot. Bonds1

About 4-(difluoromethyl)-5-iodoisoquinoline

4-(difluoromethyl)-5-iodoisoquinoline (PubChem CID 126661223) has the molecular formula C10H6F2IN and a molecular weight of 305.06 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodoisoquinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodoisoquinoline
PubChem CID126661223
Molecular FormulaC10H6F2IN
Molecular Weight305.06 g/mol
Exact Mass304.95
IUPAC Name4-(difluoromethyl)-5-iodoisoquinoline
SMILESFC(F)c1cncc2cccc(I)c12
InChIInChI=1S/C10H6F2IN/c11-10(12)7-5-14-4-6-2-1-3-8(13)9(6)7/h1-5,10H
InChIKeySZGWSAHDZFBCGY-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.06
LogP ≤ 53.78
H-Bond Donors ≤ 50
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-(difluoromethyl)-5-iodoisoquinoline?
The IUPAC name of 4-(difluoromethyl)-5-iodoisoquinoline (CID 126661223) is 4-(difluoromethyl)-5-iodoisoquinoline.
What is the SMILES notation for 4-(difluoromethyl)-5-iodoisoquinoline?
The canonical SMILES for 4-(difluoromethyl)-5-iodoisoquinoline is FC(F)c1cncc2cccc(I)c12.
What is the InChIKey of 4-(difluoromethyl)-5-iodoisoquinoline?
The InChIKey is SZGWSAHDZFBCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2IN/c11-10(12)7-5-14-4-6-2-1-3-8(13)9(6)7/h1-5,10H.
What are the key properties of 4-(difluoromethyl)-5-iodoisoquinoline?
4-(difluoromethyl)-5-iodoisoquinoline has a molecular weight of 305.06 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodoisoquinoline is sourced from PubChem (CID 126661223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).