2,5,7-trichloro-3-ethyl-6-fluoroquinoline

C11H7Cl3FN — CID 107579425

IUPAC2,5,7-trichloro-3-ethyl-6-fluoroquinoline
SMILESCCc1cc2c(Cl)c(F)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H7Cl3FN/c1-2-5-3-6-8(16-11(5)14)4-7(12)10(15)9(6)13/h3-4H,2H2,1H3
InChIKeyQWXYDWSOFSHONP-UHFFFAOYSA-N
MW278.54 g/mol
LogP4.90
Rot. Bonds1

About 2,5,7-trichloro-3-ethyl-6-fluoroquinoline

2,5,7-trichloro-3-ethyl-6-fluoroquinoline (PubChem CID 107579425) has the molecular formula C11H7Cl3FN and a molecular weight of 278.54 g/mol. Its IUPAC name is 2,5,7-trichloro-3-ethyl-6-fluoroquinoline.

Molecular Properties

Compound Name2,5,7-trichloro-3-ethyl-6-fluoroquinoline
PubChem CID107579425
Molecular FormulaC11H7Cl3FN
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2,5,7-trichloro-3-ethyl-6-fluoroquinoline
SMILESCCc1cc2c(Cl)c(F)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H7Cl3FN/c1-2-5-3-6-8(16-11(5)14)4-7(12)10(15)9(6)13/h3-4H,2H2,1H3
InChIKeyQWXYDWSOFSHONP-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trichloro-3-ethyl-6-fluoroquinoline?
The IUPAC name of 2,5,7-trichloro-3-ethyl-6-fluoroquinoline (CID 107579425) is 2,5,7-trichloro-3-ethyl-6-fluoroquinoline.
What is the SMILES notation for 2,5,7-trichloro-3-ethyl-6-fluoroquinoline?
The canonical SMILES for 2,5,7-trichloro-3-ethyl-6-fluoroquinoline is CCc1cc2c(Cl)c(F)c(Cl)cc2nc1Cl.
What is the InChIKey of 2,5,7-trichloro-3-ethyl-6-fluoroquinoline?
The InChIKey is QWXYDWSOFSHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FN/c1-2-5-3-6-8(16-11(5)14)4-7(12)10(15)9(6)13/h3-4H,2H2,1H3.
What are the key properties of 2,5,7-trichloro-3-ethyl-6-fluoroquinoline?
2,5,7-trichloro-3-ethyl-6-fluoroquinoline has a molecular weight of 278.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trichloro-3-ethyl-6-fluoroquinoline is sourced from PubChem (CID 107579425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).