4-bromo-7-fluoro-4aH-quinolin-2-one

C9H5BrFNO — CID 178188754

IUPAC4-bromo-7-fluoro-4aH-quinolin-2-one
SMILESO=C1C=C(Br)C2C=CC(F)=CC2=N1
InChIInChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-3-5(11)1-2-6(7)8/h1-4,6H
InChIKeyPVXIXSDDEHFLAP-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.29
Rot. Bonds

About 4-bromo-7-fluoro-4aH-quinolin-2-one

4-bromo-7-fluoro-4aH-quinolin-2-one (PubChem CID 178188754) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-bromo-7-fluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-bromo-7-fluoro-4aH-quinolin-2-one
PubChem CID178188754
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name4-bromo-7-fluoro-4aH-quinolin-2-one
SMILESO=C1C=C(Br)C2C=CC(F)=CC2=N1
InChIInChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-3-5(11)1-2-6(7)8/h1-4,6H
InChIKeyPVXIXSDDEHFLAP-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-3-fluoroindol-2-one
CID 150543417
8-fluoro-4aH-quinolin-2-one
CID 71304098
4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
CID 71650394
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584
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
6-bromo-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73880018
3-fluoro-4aH-quinolin-2-one
CID 73986618
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635
7-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635636

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-4aH-quinolin-2-one?
The IUPAC name of 4-bromo-7-fluoro-4aH-quinolin-2-one (CID 178188754) is 4-bromo-7-fluoro-4aH-quinolin-2-one.
What is the SMILES notation for 4-bromo-7-fluoro-4aH-quinolin-2-one?
The canonical SMILES for 4-bromo-7-fluoro-4aH-quinolin-2-one is O=C1C=C(Br)C2C=CC(F)=CC2=N1.
What is the InChIKey of 4-bromo-7-fluoro-4aH-quinolin-2-one?
The InChIKey is PVXIXSDDEHFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-3-5(11)1-2-6(7)8/h1-4,6H.
What are the key properties of 4-bromo-7-fluoro-4aH-quinolin-2-one?
4-bromo-7-fluoro-4aH-quinolin-2-one has a molecular weight of 242.05 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-4aH-quinolin-2-one is sourced from PubChem (CID 178188754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).