3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole

C15H10BrF2N4+ — CID 123489854

IUPAC3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole
SMILESFc1cccc2[nH][n+](Cc3cc(F)c4c(Br)[nH]nc4c3)cc12
InChIInChI=1S/C15H9BrF2N4/c16-15-14-11(18)4-8(5-13(14)19-20-15)6-22-7-9-10(17)2-1-3-12(9)21-22/h1-5,7H,6H2,(H,19,20)/p+1
InChIKeySLZDGCHXGYJBDM-UHFFFAOYSA-O
MW364.17 g/mol
LogP3.42
Rot. Bonds2

About 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole

3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole (PubChem CID 123489854) has the molecular formula C15H10BrF2N4+ and a molecular weight of 364.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole
PubChem CID123489854
Molecular FormulaC15H10BrF2N4+
Molecular Weight364.17 g/mol
Exact Mass363.01
IUPAC Name3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole
SMILESFc1cccc2[nH][n+](Cc3cc(F)c4c(Br)[nH]nc4c3)cc12
InChIInChI=1S/C15H9BrF2N4/c16-15-14-11(18)4-8(5-13(14)19-20-15)6-22-7-9-10(17)2-1-3-12(9)21-22/h1-5,7H,6H2,(H,19,20)/p+1
InChIKeySLZDGCHXGYJBDM-UHFFFAOYSA-O
XLogP3.42
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
N-[(3-bromo-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734088
3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine
CID 164623170
6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164629071
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
N-[(3-aminophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335541
3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 39220094
3-(1-phenylpyrazol-4-yl)-1H-indazole
CID 70683531
6-(1-methylpyrazol-4-yl)-1H-indazole
CID 118917376
N-[(3-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
CID 146669411
6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
CID 127047126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole?
The IUPAC name of 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole (CID 123489854) is 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole.
What is the SMILES notation for 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole?
The canonical SMILES for 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole is Fc1cccc2[nH][n+](Cc3cc(F)c4c(Br)[nH]nc4c3)cc12.
What is the InChIKey of 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole?
The InChIKey is SLZDGCHXGYJBDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9BrF2N4/c16-15-14-11(18)4-8(5-13(14)19-20-15)6-22-7-9-10(17)2-1-3-12(9)21-22/h1-5,7H,6H2,(H,19,20)/p+1.
What are the key properties of 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole?
3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole has a molecular weight of 364.17 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole is sourced from PubChem (CID 123489854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).