4-chloro-6-(difluoromethoxy)-3-iodoquinoline

C10H5ClF2INO — CID 102613994

IUPAC4-chloro-6-(difluoromethoxy)-3-iodoquinoline
SMILESFC(F)Oc1ccc2ncc(I)c(Cl)c2c1
InChIInChI=1S/C10H5ClF2INO/c11-9-6-3-5(16-10(12)13)1-2-8(6)15-4-7(9)14/h1-4,10H
InChIKeyKHCXQSIOTFOYES-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.09
Rot. Bonds2

About 4-chloro-6-(difluoromethoxy)-3-iodoquinoline

4-chloro-6-(difluoromethoxy)-3-iodoquinoline (PubChem CID 102613994) has the molecular formula C10H5ClF2INO and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethoxy)-3-iodoquinoline.

Molecular Properties

Compound Name4-chloro-6-(difluoromethoxy)-3-iodoquinoline
PubChem CID102613994
Molecular FormulaC10H5ClF2INO
Molecular Weight355.51 g/mol
Exact Mass354.91
IUPAC Name4-chloro-6-(difluoromethoxy)-3-iodoquinoline
SMILESFC(F)Oc1ccc2ncc(I)c(Cl)c2c1
InChIInChI=1S/C10H5ClF2INO/c11-9-6-3-5(16-10(12)13)1-2-8(6)15-4-7(9)14/h1-4,10H
InChIKeyKHCXQSIOTFOYES-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.09
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-chloro-6-(difluoromethoxy)-3-iodoquinoline?
The IUPAC name of 4-chloro-6-(difluoromethoxy)-3-iodoquinoline (CID 102613994) is 4-chloro-6-(difluoromethoxy)-3-iodoquinoline.
What is the SMILES notation for 4-chloro-6-(difluoromethoxy)-3-iodoquinoline?
The canonical SMILES for 4-chloro-6-(difluoromethoxy)-3-iodoquinoline is FC(F)Oc1ccc2ncc(I)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-(difluoromethoxy)-3-iodoquinoline?
The InChIKey is KHCXQSIOTFOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2INO/c11-9-6-3-5(16-10(12)13)1-2-8(6)15-4-7(9)14/h1-4,10H.
What are the key properties of 4-chloro-6-(difluoromethoxy)-3-iodoquinoline?
4-chloro-6-(difluoromethoxy)-3-iodoquinoline has a molecular weight of 355.51 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethoxy)-3-iodoquinoline is sourced from PubChem (CID 102613994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).