7-bromo-6-chloro-3H-quinolin-2-one

C9H5BrClNO — CID 141078460

IUPAC7-bromo-6-chloro-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Cl)c(Br)cc2=N1
InChIInChI=1S/C9H5BrClNO/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h1,3-4H,2H2
InChIKeyFRADHUWAZKWKPJ-UHFFFAOYSA-N
MW258.50 g/mol
LogP1.43
Rot. Bonds

About 7-bromo-6-chloro-3H-quinolin-2-one

7-bromo-6-chloro-3H-quinolin-2-one (PubChem CID 141078460) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 7-bromo-6-chloro-3H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-3H-quinolin-2-one
PubChem CID141078460
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name7-bromo-6-chloro-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Cl)c(Br)cc2=N1
InChIInChI=1S/C9H5BrClNO/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h1,3-4H,2H2
InChIKeyFRADHUWAZKWKPJ-UHFFFAOYSA-N
XLogP1.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-3H-quinolin-2-one?
The IUPAC name of 7-bromo-6-chloro-3H-quinolin-2-one (CID 141078460) is 7-bromo-6-chloro-3H-quinolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-3H-quinolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-3H-quinolin-2-one is O=C1CC=c2cc(Cl)c(Br)cc2=N1.
What is the InChIKey of 7-bromo-6-chloro-3H-quinolin-2-one?
The InChIKey is FRADHUWAZKWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h1,3-4H,2H2.
What are the key properties of 7-bromo-6-chloro-3H-quinolin-2-one?
7-bromo-6-chloro-3H-quinolin-2-one has a molecular weight of 258.50 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-3H-quinolin-2-one is sourced from PubChem (CID 141078460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).