3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene

C6H3Br — CID 19746447

IUPAC3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESBrc1cc2cc-2c1
InChIInChI=1S/C6H3Br/c7-6-2-4-1-5(4)3-6/h1-3H
InChIKeyUICSOCRYTQHKBY-UHFFFAOYSA-N
MW154.99 g/mol
LogP2.43
Rot. Bonds

About 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene

3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 19746447) has the molecular formula C6H3Br and a molecular weight of 154.99 g/mol. Its IUPAC name is 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID19746447
Molecular FormulaC6H3Br
Molecular Weight154.99 g/mol
Exact Mass153.94
IUPAC Name3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESBrc1cc2cc-2c1
InChIInChI=1S/C6H3Br/c7-6-2-4-1-5(4)3-6/h1-3H
InChIKeyUICSOCRYTQHKBY-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.99
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibromo-5-phenylbenzene
CID 3014933
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1,3-dibromo-5-(3,5-dibromophenyl)benzene;ethoxyethane
CID 70453333
1,2,3,4,5-pentabromo-6-(3,5-dibromophenyl)benzene
CID 90478698
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine
CID 67256389
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
[4-(3,5-dibromophenyl)phenyl]methanol
CID 56604636
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180

Frequently Asked Questions

What is the IUPAC name of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene (CID 19746447) is 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene is Brc1cc2cc-2c1.
What is the InChIKey of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is UICSOCRYTQHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br/c7-6-2-4-1-5(4)3-6/h1-3H.
What are the key properties of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene?
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 154.99 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 19746447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).