4-chloro-3-fluoroquinoline

C9H5ClFN — CID 22284824

IUPAC4-chloro-3-fluoroquinoline
SMILESFc1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClFN/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H
InChIKeyVUVXJPNPEXRGSZ-UHFFFAOYSA-N
MW181.60 g/mol
LogP3.03
Rot. Bonds

About 4-chloro-3-fluoroquinoline

4-chloro-3-fluoroquinoline (PubChem CID 22284824) has the molecular formula C9H5ClFN and a molecular weight of 181.60 g/mol. Its IUPAC name is 4-chloro-3-fluoroquinoline.

Molecular Properties

Compound Name4-chloro-3-fluoroquinoline
PubChem CID22284824
Molecular FormulaC9H5ClFN
Molecular Weight181.60 g/mol
Exact Mass181.01
IUPAC Name4-chloro-3-fluoroquinoline
SMILESFc1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClFN/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H
InChIKeyVUVXJPNPEXRGSZ-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-3-fluoroquinoline?
The IUPAC name of 4-chloro-3-fluoroquinoline (CID 22284824) is 4-chloro-3-fluoroquinoline.
What is the SMILES notation for 4-chloro-3-fluoroquinoline?
The canonical SMILES for 4-chloro-3-fluoroquinoline is Fc1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-3-fluoroquinoline?
The InChIKey is VUVXJPNPEXRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H.
What are the key properties of 4-chloro-3-fluoroquinoline?
4-chloro-3-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-3-fluoroquinoline is sourced from PubChem (CID 22284824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).