6-azido-4-fluoro-2,3-dihydroisoindol-1-one

C8H5FN4O — CID 169326285

IUPAC6-azido-4-fluoro-2,3-dihydroisoindol-1-one
SMILES[N-]=[N+]=Nc1cc(F)c2c(c1)C(=O)NC2
InChIInChI=1S/C8H5FN4O/c9-7-2-4(12-13-10)1-5-6(7)3-11-8(5)14/h1-2H,3H2,(H,11,14)
InChIKeyZGIOJDDKZVAORC-UHFFFAOYSA-N
MW192.15 g/mol
LogP2.01
Rot. Bonds1

About 6-azido-4-fluoro-2,3-dihydroisoindol-1-one

6-azido-4-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 169326285) has the molecular formula C8H5FN4O and a molecular weight of 192.15 g/mol. Its IUPAC name is 6-azido-4-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-azido-4-fluoro-2,3-dihydroisoindol-1-one
PubChem CID169326285
Molecular FormulaC8H5FN4O
Molecular Weight192.15 g/mol
Exact Mass192.04
IUPAC Name6-azido-4-fluoro-2,3-dihydroisoindol-1-one
SMILES[N-]=[N+]=Nc1cc(F)c2c(c1)C(=O)NC2
InChIInChI=1S/C8H5FN4O/c9-7-2-4(12-13-10)1-5-6(7)3-11-8(5)14/h1-2H,3H2,(H,11,14)
InChIKeyZGIOJDDKZVAORC-UHFFFAOYSA-N
XLogP2.01
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-azido-4-fluoro-2,3-dihydroisoindol-1-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

6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
CID 130064719
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
CID 130064686
6-ethynyl-4-fluoro-2,3-dihydroisoindol-1-one
CID 178067212
7-azido-3,4-dihydro-2H-isoquinolin-1-one
CID 150585195
(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)thiourea
CID 169359243
5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
CID 169335304
1-(4-azido-2-fluorophenyl)-1,4-diazepan-5-one
CID 91383659
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
6-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-2,3-dihydroisoindol-1-one
CID 168640025
1-azido-4-(18F)fluorobenzene
CID 15186747
8-azido-3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 169326410
6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one
CID 171515369

Frequently Asked Questions

What is the IUPAC name of 6-azido-4-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-azido-4-fluoro-2,3-dihydroisoindol-1-one (CID 169326285) is 6-azido-4-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-azido-4-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-azido-4-fluoro-2,3-dihydroisoindol-1-one is [N-]=[N+]=Nc1cc(F)c2c(c1)C(=O)NC2.
What is the InChIKey of 6-azido-4-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is ZGIOJDDKZVAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O/c9-7-2-4(12-13-10)1-5-6(7)3-11-8(5)14/h1-2H,3H2,(H,11,14).
What are the key properties of 6-azido-4-fluoro-2,3-dihydroisoindol-1-one?
6-azido-4-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 192.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-4-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 169326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).