5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile

C15H9BrFN3O — CID 163233811

IUPAC5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile
SMILESCOc1cc(-n2nc(C#N)c3cc(Br)ccc32)ccc1F
InChIInChI=1S/C15H9BrFN3O/c1-21-15-7-10(3-4-12(15)17)20-14-5-2-9(16)6-11(14)13(8-18)19-20/h2-7H,1H3
InChIKeyOGAKULUOAYGECO-UHFFFAOYSA-N
MW346.16 g/mol
LogP3.81
Rot. Bonds2

About 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile

5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile (PubChem CID 163233811) has the molecular formula C15H9BrFN3O and a molecular weight of 346.16 g/mol. Its IUPAC name is 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile
PubChem CID163233811
Molecular FormulaC15H9BrFN3O
Molecular Weight346.16 g/mol
Exact Mass344.99
IUPAC Name5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile
SMILESCOc1cc(-n2nc(C#N)c3cc(Br)ccc32)ccc1F
InChIInChI=1S/C15H9BrFN3O/c1-21-15-7-10(3-4-12(15)17)20-14-5-2-9(16)6-11(14)13(8-18)19-20/h2-7H,1H3
InChIKeyOGAKULUOAYGECO-UHFFFAOYSA-N
XLogP3.81
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile?
The IUPAC name of 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile (CID 163233811) is 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile.
What is the SMILES notation for 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile?
The canonical SMILES for 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile is COc1cc(-n2nc(C#N)c3cc(Br)ccc32)ccc1F.
What is the InChIKey of 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile?
The InChIKey is OGAKULUOAYGECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O/c1-21-15-7-10(3-4-12(15)17)20-14-5-2-9(16)6-11(14)13(8-18)19-20/h2-7H,1H3.
What are the key properties of 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile?
5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile has a molecular weight of 346.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile is sourced from PubChem (CID 163233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).