5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one

C13H8BrFN2O — CID 19805521

IUPAC5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one
SMILESO=c1c2cc(Br)ccc2[nH]n1-c1ccccc1F
InChIInChI=1S/C13H8BrFN2O/c14-8-5-6-11-9(7-8)13(18)17(16-11)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyKPWCDHQBPAALDS-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one

5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one (PubChem CID 19805521) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one.

Molecular Properties

Compound Name5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one
PubChem CID19805521
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one
SMILESO=c1c2cc(Br)ccc2[nH]n1-c1ccccc1F
InChIInChI=1S/C13H8BrFN2O/c14-8-5-6-11-9(7-8)13(18)17(16-11)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyKPWCDHQBPAALDS-UHFFFAOYSA-N
XLogP3.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-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-benzyl-1H-indazol-3-ol
CID 75181
3-Indazolinone, 2-phenyl-
CID 411519
1,2,3-Benzotriazin-4(3H)-one, 3-(4-bromophenyl)-
CID 593390
5-Bromo-1,2-dihydro-3H-indazol-3-one
CID 21609265
2-(4-(Trifluoromethyl)phenyl)-1,2-dihydroindazol-3-one
CID 44412449
5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide
CID 53329234
(3E)-5-bromo-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 6918711
1H-Indazol-3-ol, 1-phenyl-
CID 234617
(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 703626
(4E)-4-[(3-bromophenyl)methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione
CID 1238501
9-Bromo-1,13-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),7(12),8,10,15,17,19-heptaene-5,14-dione
CID 156018010
N-(4-Bromo-2-methylphenyl)-4-fluorobenzamide
CID 579428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one?
The IUPAC name of 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one (CID 19805521) is 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one.
What is the SMILES notation for 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one?
The canonical SMILES for 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one is O=c1c2cc(Br)ccc2[nH]n1-c1ccccc1F.
What is the InChIKey of 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one?
The InChIKey is KPWCDHQBPAALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-8-5-6-11-9(7-8)13(18)17(16-11)12-4-2-1-3-10(12)15/h1-7,16H.
What are the key properties of 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one?
5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one has a molecular weight of 307.12 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluorophenyl)-1H-indazol-3-one is sourced from PubChem (CID 19805521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).