5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole

C14H10BrFN2O — CID 22260973

IUPAC5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1Br
InChIInChI=1S/C14H10BrFN2O/c1-19-13-7-12-10(6-11(13)15)14(18-17-12)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,17,18)
InChIKeyIXLUJULVGZTZGD-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole

5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole (PubChem CID 22260973) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole
PubChem CID22260973
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1Br
InChIInChI=1S/C14H10BrFN2O/c1-19-13-7-12-10(6-11(13)15)14(18-17-12)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,17,18)
InChIKeyIXLUJULVGZTZGD-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Allyl-(6-[3-(4-bromo-phenyl)-1h-indazol-6-yloxy]-hexyl)-methyl-amine
CID 44306071
5-Bromo-6-methoxy-1H-indazole
CID 15278593
4-[6-(trifluoromethoxy)-1H-indazol-3-yl]benzonitrile
CID 137661020
3-(4-methoxyphenyl)-1H-indazole
CID 9855970
6-(3-bromophenoxy)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877478
5-bromo-4-methoxy-1H-indazole
CID 23134564
5-bromo-3-methoxy-1H-indazole
CID 59831760
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride
CID 22479947
6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole
CID 11174579
3-(5-bromo-2-methoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole
CID 11189133
3-(3,5-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole
CID 11221253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole?
The IUPAC name of 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole (CID 22260973) is 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole.
What is the SMILES notation for 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole?
The canonical SMILES for 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1Br.
What is the InChIKey of 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole?
The InChIKey is IXLUJULVGZTZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-13-7-12-10(6-11(13)15)14(18-17-12)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole?
5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole has a molecular weight of 321.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole is sourced from PubChem (CID 22260973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).