5-bromo-3-ethyl-7-fluoro-1-methylindazole

C10H10BrFN2 — CID 59514214

IUPAC5-bromo-3-ethyl-7-fluoro-1-methylindazole
SMILESCCc1nn(C)c2c(F)cc(Br)cc12
InChIInChI=1S/C10H10BrFN2/c1-3-9-7-4-6(11)5-8(12)10(7)14(2)13-9/h4-5H,3H2,1-2H3
InChIKeyDOFYWFPUWDRYNX-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.04
Rot. Bonds1

About 5-bromo-3-ethyl-7-fluoro-1-methylindazole

5-bromo-3-ethyl-7-fluoro-1-methylindazole (PubChem CID 59514214) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 5-bromo-3-ethyl-7-fluoro-1-methylindazole.

Molecular Properties

Compound Name5-bromo-3-ethyl-7-fluoro-1-methylindazole
PubChem CID59514214
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name5-bromo-3-ethyl-7-fluoro-1-methylindazole
SMILESCCc1nn(C)c2c(F)cc(Br)cc12
InChIInChI=1S/C10H10BrFN2/c1-3-9-7-4-6(11)5-8(12)10(7)14(2)13-9/h4-5H,3H2,1-2H3
InChIKeyDOFYWFPUWDRYNX-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-7-fluoro-1-methylindazole?
The IUPAC name of 5-bromo-3-ethyl-7-fluoro-1-methylindazole (CID 59514214) is 5-bromo-3-ethyl-7-fluoro-1-methylindazole.
What is the SMILES notation for 5-bromo-3-ethyl-7-fluoro-1-methylindazole?
The canonical SMILES for 5-bromo-3-ethyl-7-fluoro-1-methylindazole is CCc1nn(C)c2c(F)cc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-7-fluoro-1-methylindazole?
The InChIKey is DOFYWFPUWDRYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c1-3-9-7-4-6(11)5-8(12)10(7)14(2)13-9/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-3-ethyl-7-fluoro-1-methylindazole?
5-bromo-3-ethyl-7-fluoro-1-methylindazole has a molecular weight of 257.11 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-7-fluoro-1-methylindazole is sourced from PubChem (CID 59514214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).