2-chloro-4-(4-fluorophenyl)-7-iodoquinoline

C15H8ClFIN — CID 87264840

IUPAC2-chloro-4-(4-fluorophenyl)-7-iodoquinoline
SMILESFc1ccc(-c2cc(Cl)nc3cc(I)ccc23)cc1
InChIInChI=1S/C15H8ClFIN/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)19-15/h1-8H
InChIKeyADESEPDJMYVCNM-UHFFFAOYSA-N
MW383.59 g/mol
LogP5.30
Rot. Bonds1

About 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline

2-chloro-4-(4-fluorophenyl)-7-iodoquinoline (PubChem CID 87264840) has the molecular formula C15H8ClFIN and a molecular weight of 383.59 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-7-iodoquinoline
PubChem CID87264840
Molecular FormulaC15H8ClFIN
Molecular Weight383.59 g/mol
Exact Mass382.94
IUPAC Name2-chloro-4-(4-fluorophenyl)-7-iodoquinoline
SMILESFc1ccc(-c2cc(Cl)nc3cc(I)ccc23)cc1
InChIInChI=1S/C15H8ClFIN/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)19-15/h1-8H
InChIKeyADESEPDJMYVCNM-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline (CID 87264840) is 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline is Fc1ccc(-c2cc(Cl)nc3cc(I)ccc23)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline?
The InChIKey is ADESEPDJMYVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFIN/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)19-15/h1-8H.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline?
2-chloro-4-(4-fluorophenyl)-7-iodoquinoline has a molecular weight of 383.59 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-7-iodoquinoline is sourced from PubChem (CID 87264840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).