5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole

C14H10BrFN2O — CID 22261064

IUPAC5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole
SMILESCOc1c(Br)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H10BrFN2O/c1-19-14-10(15)5-6-11-12(14)13(18-17-11)8-3-2-4-9(16)7-8/h2-7H,1H3,(H,17,18)
InChIKeyOVAGVQRZRXRRPO-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole

5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole (PubChem CID 22261064) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole
PubChem CID22261064
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole
SMILESCOc1c(Br)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H10BrFN2O/c1-19-14-10(15)5-6-11-12(14)13(18-17-11)8-3-2-4-9(16)7-8/h2-7H,1H3,(H,17,18)
InChIKeyOVAGVQRZRXRRPO-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 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole?
The IUPAC name of 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole (CID 22261064) is 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole.
What is the SMILES notation for 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole?
The canonical SMILES for 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole is COc1c(Br)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole?
The InChIKey is OVAGVQRZRXRRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-14-10(15)5-6-11-12(14)13(18-17-11)8-3-2-4-9(16)7-8/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-3-(3-fluorophenyl)-4-methoxy-1H-indazole?
5-bromo-3-(3-fluorophenyl)-4-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)-4-methoxy-1H-indazole is sourced from PubChem (CID 22261064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).