5-bromo-3-(1,1-difluoroethyl)-1-methylindazole

C10H9BrF2N2 — CID 84714023

IUPAC5-bromo-3-(1,1-difluoroethyl)-1-methylindazole
SMILESCn1nc(C(C)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrF2N2/c1-10(12,13)9-7-5-6(11)3-4-8(7)15(2)14-9/h3-5H,1-2H3
InChIKeyPSVLYUDFMPIVGK-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.45
Rot. Bonds1

About 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole

5-bromo-3-(1,1-difluoroethyl)-1-methylindazole (PubChem CID 84714023) has the molecular formula C10H9BrF2N2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole.

Molecular Properties

Compound Name5-bromo-3-(1,1-difluoroethyl)-1-methylindazole
PubChem CID84714023
Molecular FormulaC10H9BrF2N2
Molecular Weight275.10 g/mol
Exact Mass273.99
IUPAC Name5-bromo-3-(1,1-difluoroethyl)-1-methylindazole
SMILESCn1nc(C(C)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrF2N2/c1-10(12,13)9-7-5-6(11)3-4-8(7)15(2)14-9/h3-5H,1-2H3
InChIKeyPSVLYUDFMPIVGK-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole?
The IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole (CID 84714023) is 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole.
What is the SMILES notation for 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole?
The canonical SMILES for 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole is Cn1nc(C(C)(F)F)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole?
The InChIKey is PSVLYUDFMPIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2/c1-10(12,13)9-7-5-6(11)3-4-8(7)15(2)14-9/h3-5H,1-2H3.
What are the key properties of 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole?
5-bromo-3-(1,1-difluoroethyl)-1-methylindazole has a molecular weight of 275.10 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,1-difluoroethyl)-1-methylindazole is sourced from PubChem (CID 84714023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).