5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole

C10H7BrF2N2 — CID 178051136

IUPAC5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole
SMILESCn1cc2cc(Br)cc(C=C(F)F)c2n1
InChIInChI=1S/C10H7BrF2N2/c1-15-5-7-3-8(11)2-6(4-9(12)13)10(7)14-15/h2-5H,1H3
InChIKeyCQUQWKVSUPWGPY-UHFFFAOYSA-N
MW273.08 g/mol
LogP3.57
Rot. Bonds1

About 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole

5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole (PubChem CID 178051136) has the molecular formula C10H7BrF2N2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole.

Molecular Properties

Compound Name5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole
PubChem CID178051136
Molecular FormulaC10H7BrF2N2
Molecular Weight273.08 g/mol
Exact Mass271.98
IUPAC Name5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole
SMILESCn1cc2cc(Br)cc(C=C(F)F)c2n1
InChIInChI=1S/C10H7BrF2N2/c1-15-5-7-3-8(11)2-6(4-9(12)13)10(7)14-15/h2-5H,1H3
InChIKeyCQUQWKVSUPWGPY-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole?
The IUPAC name of 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole (CID 178051136) is 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole.
What is the SMILES notation for 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole?
The canonical SMILES for 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole is Cn1cc2cc(Br)cc(C=C(F)F)c2n1.
What is the InChIKey of 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole?
The InChIKey is CQUQWKVSUPWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2/c1-15-5-7-3-8(11)2-6(4-9(12)13)10(7)14-15/h2-5H,1H3.
What are the key properties of 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole?
5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole has a molecular weight of 273.08 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole is sourced from PubChem (CID 178051136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).