5-bromo-4-(difluoromethoxy)-1-ethylindazole

C10H9BrF2N2O — CID 150217066

IUPAC5-bromo-4-(difluoromethoxy)-1-ethylindazole
SMILESCCn1ncc2c(OC(F)F)c(Br)ccc21
InChIInChI=1S/C10H9BrF2N2O/c1-2-15-8-4-3-7(11)9(16-10(12)13)6(8)5-14-15/h3-5,10H,2H2,1H3
InChIKeyFSRRIOCIFLAEND-UHFFFAOYSA-N
MW291.10 g/mol
LogP3.42
Rot. Bonds3

About 5-bromo-4-(difluoromethoxy)-1-ethylindazole

5-bromo-4-(difluoromethoxy)-1-ethylindazole (PubChem CID 150217066) has the molecular formula C10H9BrF2N2O and a molecular weight of 291.10 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethoxy)-1-ethylindazole.

Molecular Properties

Compound Name5-bromo-4-(difluoromethoxy)-1-ethylindazole
PubChem CID150217066
Molecular FormulaC10H9BrF2N2O
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name5-bromo-4-(difluoromethoxy)-1-ethylindazole
SMILESCCn1ncc2c(OC(F)F)c(Br)ccc21
InChIInChI=1S/C10H9BrF2N2O/c1-2-15-8-4-3-7(11)9(16-10(12)13)6(8)5-14-15/h3-5,10H,2H2,1H3
InChIKeyFSRRIOCIFLAEND-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethoxy)-1-ethylindazole?
The IUPAC name of 5-bromo-4-(difluoromethoxy)-1-ethylindazole (CID 150217066) is 5-bromo-4-(difluoromethoxy)-1-ethylindazole.
What is the SMILES notation for 5-bromo-4-(difluoromethoxy)-1-ethylindazole?
The canonical SMILES for 5-bromo-4-(difluoromethoxy)-1-ethylindazole is CCn1ncc2c(OC(F)F)c(Br)ccc21.
What is the InChIKey of 5-bromo-4-(difluoromethoxy)-1-ethylindazole?
The InChIKey is FSRRIOCIFLAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2O/c1-2-15-8-4-3-7(11)9(16-10(12)13)6(8)5-14-15/h3-5,10H,2H2,1H3.
What are the key properties of 5-bromo-4-(difluoromethoxy)-1-ethylindazole?
5-bromo-4-(difluoromethoxy)-1-ethylindazole has a molecular weight of 291.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethoxy)-1-ethylindazole is sourced from PubChem (CID 150217066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).