3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

C14H10BrFN4 — CID 129203899

IUPAC3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2Br)=NN1
InChIInChI=1S/C14H10BrFN4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyVWHLOVYTVMKSDJ-UHFFFAOYSA-N
MW333.16 g/mol
LogP2.80
Rot. Bonds2

About 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 129203899) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID129203899
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2Br)=NN1
InChIInChI=1S/C14H10BrFN4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyVWHLOVYTVMKSDJ-UHFFFAOYSA-N
XLogP2.80
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 129203899) is 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is Fc1ccccc1C1=NNC(c2ccccc2Br)=NN1.
What is the InChIKey of 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is VWHLOVYTVMKSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 333.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 129203899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).