3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole

C11H5BrF3N3 — CID 162664781

IUPAC3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole
SMILESFC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21
InChIInChI=1S/C11H5BrF3N3/c12-7-4-16-10-8-2-1-6(11(13,14)15)3-9(8)17-18(10)5-7/h1-5H
InChIKeyBIMCGWNXXGJXDW-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.66
Rot. Bonds

About 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole

3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole (PubChem CID 162664781) has the molecular formula C11H5BrF3N3 and a molecular weight of 316.08 g/mol. Its IUPAC name is 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole.

Molecular Properties

Compound Name3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole
PubChem CID162664781
Molecular FormulaC11H5BrF3N3
Molecular Weight316.08 g/mol
Exact Mass314.96
IUPAC Name3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole
SMILESFC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21
InChIInChI=1S/C11H5BrF3N3/c12-7-4-16-10-8-2-1-6(11(13,14)15)3-9(8)17-18(10)5-7/h1-5H
InChIKeyBIMCGWNXXGJXDW-UHFFFAOYSA-N
XLogP3.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole?
The IUPAC name of 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole (CID 162664781) is 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole.
What is the SMILES notation for 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole?
The canonical SMILES for 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole is FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21.
What is the InChIKey of 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole?
The InChIKey is BIMCGWNXXGJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3N3/c12-7-4-16-10-8-2-1-6(11(13,14)15)3-9(8)17-18(10)5-7/h1-5H.
What are the key properties of 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole?
3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole has a molecular weight of 316.08 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole is sourced from PubChem (CID 162664781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).