6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole

C14H10BrFN2O — CID 163234876

IUPAC6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3cc(Br)ccc23)ccc1F
InChIInChI=1S/C14H10BrFN2O/c1-19-13-6-8(2-5-11(13)16)14-10-4-3-9(15)7-12(10)17-18-14/h2-7H,1H3,(H,17,18)
InChIKeyFNLMKSVDYDFEDD-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole

6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole (PubChem CID 163234876) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole
PubChem CID163234876
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3cc(Br)ccc23)ccc1F
InChIInChI=1S/C14H10BrFN2O/c1-19-13-6-8(2-5-11(13)16)14-10-4-3-9(15)7-12(10)17-18-14/h2-7H,1H3,(H,17,18)
InChIKeyFNLMKSVDYDFEDD-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole?
The IUPAC name of 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole (CID 163234876) is 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole.
What is the SMILES notation for 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole?
The canonical SMILES for 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole is COc1cc(-c2n[nH]c3cc(Br)ccc23)ccc1F.
What is the InChIKey of 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole?
The InChIKey is FNLMKSVDYDFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-13-6-8(2-5-11(13)16)14-10-4-3-9(15)7-12(10)17-18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole?
6-bromo-3-(4-fluoro-3-methoxyphenyl)-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 6-bromo-3-(4-fluoro-3-methoxyphenyl)-1H-indazole is sourced from PubChem (CID 163234876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).