4-chloro-8-fluoroquinoline

C9H5ClFN — CID 2736587

IUPAC4-chloro-8-fluoroquinoline
SMILESFc1cccc2c(Cl)ccnc12
InChIInChI=1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H
InChIKeyNUIMKHDPMIPYFI-UHFFFAOYSA-N
MW181.60 g/mol
LogP3.03
Rot. Bonds

About 4-chloro-8-fluoroquinoline

4-chloro-8-fluoroquinoline (PubChem CID 2736587) has the molecular formula C9H5ClFN and a molecular weight of 181.60 g/mol. Its IUPAC name is 4-chloro-8-fluoroquinoline.

Molecular Properties

Compound Name4-chloro-8-fluoroquinoline
PubChem CID2736587
Molecular FormulaC9H5ClFN
Molecular Weight181.60 g/mol
Exact Mass181.01
IUPAC Name4-chloro-8-fluoroquinoline
SMILESFc1cccc2c(Cl)ccnc12
InChIInChI=1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H
InChIKeyNUIMKHDPMIPYFI-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoroquinoline?
The IUPAC name of 4-chloro-8-fluoroquinoline (CID 2736587) is 4-chloro-8-fluoroquinoline.
What is the SMILES notation for 4-chloro-8-fluoroquinoline?
The canonical SMILES for 4-chloro-8-fluoroquinoline is Fc1cccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-8-fluoroquinoline?
The InChIKey is NUIMKHDPMIPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H.
What are the key properties of 4-chloro-8-fluoroquinoline?
4-chloro-8-fluoroquinoline has a molecular weight of 181.60 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoroquinoline is sourced from PubChem (CID 2736587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).