8-bromo-6-chloro-1H-quinolin-2-one

C9H5BrClNO — CID 81272746

IUPAC8-bromo-6-chloro-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cl)cc(Br)c2[nH]1
InChIInChI=1S/C9H5BrClNO/c10-7-4-6(11)3-5-1-2-8(13)12-9(5)7/h1-4H,(H,12,13)
InChIKeyNCLINNRKKDTFKR-UHFFFAOYSA-N
MW258.50 g/mol
LogP2.94
Rot. Bonds

About 8-bromo-6-chloro-1H-quinolin-2-one

8-bromo-6-chloro-1H-quinolin-2-one (PubChem CID 81272746) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 8-bromo-6-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-6-chloro-1H-quinolin-2-one
PubChem CID81272746
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name8-bromo-6-chloro-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cl)cc(Br)c2[nH]1
InChIInChI=1S/C9H5BrClNO/c10-7-4-6(11)3-5-1-2-8(13)12-9(5)7/h1-4H,(H,12,13)
InChIKeyNCLINNRKKDTFKR-UHFFFAOYSA-N
XLogP2.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-1H-quinolin-2-one?
The IUPAC name of 8-bromo-6-chloro-1H-quinolin-2-one (CID 81272746) is 8-bromo-6-chloro-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-6-chloro-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-6-chloro-1H-quinolin-2-one is O=c1ccc2cc(Cl)cc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-6-chloro-1H-quinolin-2-one?
The InChIKey is NCLINNRKKDTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-7-4-6(11)3-5-1-2-8(13)12-9(5)7/h1-4H,(H,12,13).
What are the key properties of 8-bromo-6-chloro-1H-quinolin-2-one?
8-bromo-6-chloro-1H-quinolin-2-one has a molecular weight of 258.50 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-1H-quinolin-2-one is sourced from PubChem (CID 81272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).