5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine

C8H5BrF3N3 — CID 137346870

IUPAC5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine
SMILESCc1cc(C2(C(F)(F)F)N=N2)ncc1Br
InChIInChI=1S/C8H5BrF3N3/c1-4-2-6(13-3-5(4)9)7(14-15-7)8(10,11)12/h2-3H,1H3
InChIKeyTYXFIEKCGFANDF-UHFFFAOYSA-N
MW280.05 g/mol
LogP3.33
Rot. Bonds1

About 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine

5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine (PubChem CID 137346870) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine
PubChem CID137346870
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine
SMILESCc1cc(C2(C(F)(F)F)N=N2)ncc1Br
InChIInChI=1S/C8H5BrF3N3/c1-4-2-6(13-3-5(4)9)7(14-15-7)8(10,11)12/h2-3H,1H3
InChIKeyTYXFIEKCGFANDF-UHFFFAOYSA-N
XLogP3.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The IUPAC name of 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine (CID 137346870) is 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine is Cc1cc(C2(C(F)(F)F)N=N2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The InChIKey is TYXFIEKCGFANDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c1-4-2-6(13-3-5(4)9)7(14-15-7)8(10,11)12/h2-3H,1H3.
What are the key properties of 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine has a molecular weight of 280.05 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]pyridine is sourced from PubChem (CID 137346870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).