6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole

C16H12BrFN2O — CID 143887624

IUPAC6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole
SMILESC=C(OC)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN2O/c1-10(21-2)14-7-11(17)8-16-15(14)9-19-20(16)13-5-3-12(18)4-6-13/h3-9H,1H2,2H3
InChIKeyMISLLBWYHDSRPV-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.54
Rot. Bonds3

About 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole

6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole (PubChem CID 143887624) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole
PubChem CID143887624
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole
SMILESC=C(OC)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN2O/c1-10(21-2)14-7-11(17)8-16-15(14)9-19-20(16)13-5-3-12(18)4-6-13/h3-9H,1H2,2H3
InChIKeyMISLLBWYHDSRPV-UHFFFAOYSA-N
XLogP4.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(6-bromo-3-pyridinyl)methylamino]ethenyl]-1-(4-fluorophenyl)indazole-6-carbonitrile
CID 143887690
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 66917021
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917285
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486
N-[1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278494
4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
CID 143887698
N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278185
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole?
The IUPAC name of 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole (CID 143887624) is 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole.
What is the SMILES notation for 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole?
The canonical SMILES for 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole is C=C(OC)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole?
The InChIKey is MISLLBWYHDSRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-10(21-2)14-7-11(17)8-16-15(14)9-19-20(16)13-5-3-12(18)4-6-13/h3-9H,1H2,2H3.
What are the key properties of 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole?
6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole has a molecular weight of 347.19 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-fluorophenyl)-4-(1-methoxyethenyl)indazole is sourced from PubChem (CID 143887624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).