4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one

C10H6BrF2NO — CID 71650394

IUPAC4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
SMILESO=C1C=C(CBr)C2=CC=C(F)C(F)C2=N1
InChIInChI=1S/C10H6BrF2NO/c11-4-5-3-8(15)14-10-6(5)1-2-7(12)9(10)13/h1-3,9H,4H2
InChIKeyIIHCRDSBDDZHQW-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.42
Rot. Bonds1

About 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one

4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one (PubChem CID 71650394) has the molecular formula C10H6BrF2NO and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
PubChem CID71650394
Molecular FormulaC10H6BrF2NO
Molecular Weight274.06 g/mol
Exact Mass272.96
IUPAC Name4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
SMILESO=C1C=C(CBr)C2=CC=C(F)C(F)C2=N1
InChIInChI=1S/C10H6BrF2NO/c11-4-5-3-8(15)14-10-6(5)1-2-7(12)9(10)13/h1-3,9H,4H2
InChIKeyIIHCRDSBDDZHQW-UHFFFAOYSA-N
XLogP2.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-8H-quinolin-2-one
CID 71650474
6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
6-bromo-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73880018
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377
7-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 76453614
6-bromo-8-fluoro-8H-quinolin-2-one
CID 76769440
6-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 77620930
6-Methylidene-4-(trifluoromethyl)quinolin-2-one
CID 78177323
8-bromo-3-fluoro-8H-quinolin-2-one
CID 85436256
4-bromo-6-fluoro-6H-quinolin-2-one
CID 178188753
4-bromo-7-fluoro-4aH-quinolin-2-one
CID 178188754
4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one
CID 45025006

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one?
The IUPAC name of 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one (CID 71650394) is 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one.
What is the SMILES notation for 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one?
The canonical SMILES for 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one is O=C1C=C(CBr)C2=CC=C(F)C(F)C2=N1.
What is the InChIKey of 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one?
The InChIKey is IIHCRDSBDDZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO/c11-4-5-3-8(15)14-10-6(5)1-2-7(12)9(10)13/h1-3,9H,4H2.
What are the key properties of 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one?
4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one has a molecular weight of 274.06 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one is sourced from PubChem (CID 71650394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).