6-chloro-7-fluoro-3H-quinolin-4-one

C9H5ClFNO — CID 165477405

IUPAC6-chloro-7-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h2-4H,1H2
InChIKeyAYFKMDRNIDGZFZ-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.77
Rot. Bonds

About 6-chloro-7-fluoro-3H-quinolin-4-one

6-chloro-7-fluoro-3H-quinolin-4-one (PubChem CID 165477405) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-fluoro-3H-quinolin-4-one
PubChem CID165477405
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name6-chloro-7-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h2-4H,1H2
InChIKeyAYFKMDRNIDGZFZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3H-quinolin-4-one?
The IUPAC name of 6-chloro-7-fluoro-3H-quinolin-4-one (CID 165477405) is 6-chloro-7-fluoro-3H-quinolin-4-one.
What is the SMILES notation for 6-chloro-7-fluoro-3H-quinolin-4-one?
The canonical SMILES for 6-chloro-7-fluoro-3H-quinolin-4-one is O=C1CC=Nc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-fluoro-3H-quinolin-4-one?
The InChIKey is AYFKMDRNIDGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h2-4H,1H2.
What are the key properties of 6-chloro-7-fluoro-3H-quinolin-4-one?
6-chloro-7-fluoro-3H-quinolin-4-one has a molecular weight of 197.60 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3H-quinolin-4-one is sourced from PubChem (CID 165477405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).