5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole

C15H10Br2F2N4 — CID 157061957

IUPAC5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole
SMILESCn1cc2c(F)c(Br)ccc2n1.Fc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C8H6BrFN2.C7H4BrFN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-4H,1H3;1-3H,(H,10,11)
InChIKeyABKWSEMCNDIIMB-UHFFFAOYSA-N
MW444.08 g/mol
LogP4.94
Rot. Bonds

About 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole

5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole (PubChem CID 157061957) has the molecular formula C15H10Br2F2N4 and a molecular weight of 444.08 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole
PubChem CID157061957
Molecular FormulaC15H10Br2F2N4
Molecular Weight444.08 g/mol
Exact Mass441.92
IUPAC Name5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole
SMILESCn1cc2c(F)c(Br)ccc2n1.Fc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C8H6BrFN2.C7H4BrFN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-4H,1H3;1-3H,(H,10,11)
InChIKeyABKWSEMCNDIIMB-UHFFFAOYSA-N
XLogP4.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.08
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole 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

5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164622174
6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164629071
6-bromo-N-(5-fluoro-1H-indazol-6-yl)quinolin-4-amine
CID 168289803
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
5-Bromo-2-methyl-2H-indazole
CID 11514007
5-Bromo-2-ethyl-2H-indazole
CID 22558977
5-Bromo-6-fluoro-1-methyl-1H-indazole
CID 57917274
5-Bromo-6-fluoro-2-methyl-2h-indazole
CID 131489264
5-bromo-1-(difluoromethyl)-1H-indazole
CID 150411750
5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 177381922
6-bromo-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
CID 177647133
5-Bromo-4-fluoro-1-methyl-1h-indazole
CID 69079347

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole?
The IUPAC name of 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole (CID 157061957) is 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole.
What is the SMILES notation for 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole?
The canonical SMILES for 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole is Cn1cc2c(F)c(Br)ccc2n1.Fc1c(Br)ccc2[nH]ncc12.
What is the InChIKey of 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole?
The InChIKey is ABKWSEMCNDIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2.C7H4BrFN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-4H,1H3;1-3H,(H,10,11).
What are the key properties of 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole?
5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole has a molecular weight of 444.08 g/mol, XLogP of 4.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole is sourced from PubChem (CID 157061957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).