1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one

C14H10BrFN2O — CID 15084548

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2ccc(Br)cc2F)c2ccccc12
InChIInChI=1S/C14H10BrFN2O/c15-10-6-5-9(12(16)7-10)8-18-13-4-2-1-3-11(13)14(19)17-18/h1-7H,8H2,(H,17,19)
InChIKeyPOWCLTGSRFLEAC-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.28
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one

1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one (PubChem CID 15084548) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one
PubChem CID15084548
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2ccc(Br)cc2F)c2ccccc12
InChIInChI=1S/C14H10BrFN2O/c15-10-6-5-9(12(16)7-10)8-18-13-4-2-1-3-11(13)14(19)17-18/h1-7H,8H2,(H,17,19)
InChIKeyPOWCLTGSRFLEAC-UHFFFAOYSA-N
XLogP3.28
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromo-2-fluorophenyl)methyl]-2H-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-[(2-fluorophenyl)methyl]-2H-indazol-3-one
CID 10752656
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115575620
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
1-[(2-fluorophenyl)methyl]-5-nitro-2H-indazol-3-one
CID 10827124
2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
CID 70933361
2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
CID 5278
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171098
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 55127512
5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446773
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
CID 66409261

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one (CID 15084548) is 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one is O=c1[nH]n(Cc2ccc(Br)cc2F)c2ccccc12.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one?
The InChIKey is POWCLTGSRFLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-10-6-5-9(12(16)7-10)8-18-13-4-2-1-3-11(13)14(19)17-18/h1-7H,8H2,(H,17,19).
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one?
1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one has a molecular weight of 321.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one is sourced from PubChem (CID 15084548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).