8-chloro-5-fluoro-4aH-quinolin-2-one

C9H5ClFNO — CID 178188337

IUPAC8-chloro-5-fluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=C(Cl)C2=N1
InChIInChI=1S/C9H5ClFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1-5H
InChIKeyQVJYAOMWJQGRML-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.13
Rot. Bonds

About 8-chloro-5-fluoro-4aH-quinolin-2-one

8-chloro-5-fluoro-4aH-quinolin-2-one (PubChem CID 178188337) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 8-chloro-5-fluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-5-fluoro-4aH-quinolin-2-one
PubChem CID178188337
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name8-chloro-5-fluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=C(Cl)C2=N1
InChIInChI=1S/C9H5ClFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1-5H
InChIKeyQVJYAOMWJQGRML-UHFFFAOYSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
CID 71650402
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
5-fluoro-4aH-quinolin-2-one
CID 73200527
5,8-difluoro-4aH-quinolin-2-one
CID 73415018
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635
7-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635636
7-chloro-8-fluoro-8H-quinolin-2-one
CID 138058931

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-4aH-quinolin-2-one?
The IUPAC name of 8-chloro-5-fluoro-4aH-quinolin-2-one (CID 178188337) is 8-chloro-5-fluoro-4aH-quinolin-2-one.
What is the SMILES notation for 8-chloro-5-fluoro-4aH-quinolin-2-one?
The canonical SMILES for 8-chloro-5-fluoro-4aH-quinolin-2-one is O=C1C=CC2C(F)=CC=C(Cl)C2=N1.
What is the InChIKey of 8-chloro-5-fluoro-4aH-quinolin-2-one?
The InChIKey is QVJYAOMWJQGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1-5H.
What are the key properties of 8-chloro-5-fluoro-4aH-quinolin-2-one?
8-chloro-5-fluoro-4aH-quinolin-2-one has a molecular weight of 197.60 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-4aH-quinolin-2-one is sourced from PubChem (CID 178188337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).