6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one

C11H9BrF2N2O — CID 144623645

IUPAC6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one
SMILESO=C1Nc2ncc(Br)cc2CC12CC(F)(F)C2
InChIInChI=1S/C11H9BrF2N2O/c12-7-1-6-2-10(4-11(13,14)5-10)9(17)16-8(6)15-3-7/h1,3H,2,4-5H2,(H,15,16,17)
InChIKeyVQTKKESWDRNCGR-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.75
Rot. Bonds

About 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one

6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one (PubChem CID 144623645) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one.

Molecular Properties

Compound Name6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one
PubChem CID144623645
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one
SMILESO=C1Nc2ncc(Br)cc2CC12CC(F)(F)C2
InChIInChI=1S/C11H9BrF2N2O/c12-7-1-6-2-10(4-11(13,14)5-10)9(17)16-8(6)15-3-7/h1,3H,2,4-5H2,(H,15,16,17)
InChIKeyVQTKKESWDRNCGR-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-Tetrahydro-1,8-naphthyridin-2-one
CID 15926040
6-Bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11096325
6-Fluoro-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 49761599
6-bromo-4,4-dimethyl-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 129958632
N-(5-bromopyridin-2-yl)-2-phenylacetamide
CID 783419
2-(4-bromophenyl)-N-(pyridin-2-yl)acetamide
CID 670096
3-Bromo-5,6,7,9-tetrahydro-pyrido[2,3-b]azepin-8-one
CID 22139024
3-Bromo-7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 156500271
N-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 53566143
N-(3-bromo-2-pyridinyl)-3-pyridin-3-ylpropanamide
CID 71980568
N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 71980572
N-[2-[(5-bromopyridin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide
CID 564074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one?
The IUPAC name of 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one (CID 144623645) is 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one.
What is the SMILES notation for 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one?
The canonical SMILES for 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one is O=C1Nc2ncc(Br)cc2CC12CC(F)(F)C2.
What is the InChIKey of 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one?
The InChIKey is VQTKKESWDRNCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c12-7-1-6-2-10(4-11(13,14)5-10)9(17)16-8(6)15-3-7/h1,3H,2,4-5H2,(H,15,16,17).
What are the key properties of 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one?
6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one has a molecular weight of 303.11 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1',1'-difluorospiro[1,4-dihydro-1,8-naphthyridine-3,3'-cyclobutane]-2-one is sourced from PubChem (CID 144623645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).