2-bromocyclohexa-1,3-diene

C6H7Br — CID 527551

IUPAC2-bromocyclohexa-1,3-diene
SMILESBrC1=CCCC=C1
InChIInChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyIYBFVRUXEKUNNQ-UHFFFAOYSA-N
MW159.03 g/mol
LogP2.62
Rot. Bonds

About 2-bromocyclohexa-1,3-diene

2-bromocyclohexa-1,3-diene (PubChem CID 527551) has the molecular formula C6H7Br and a molecular weight of 159.03 g/mol. Its IUPAC name is 2-bromocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromocyclohexa-1,3-diene
PubChem CID527551
Molecular FormulaC6H7Br
Molecular Weight159.03 g/mol
Exact Mass157.97
IUPAC Name2-bromocyclohexa-1,3-diene
SMILESBrC1=CCCC=C1
InChIInChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyIYBFVRUXEKUNNQ-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.03
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-Cyclohexadiene, 1-bromo
CID 527561
1,4-Cyclohexadiene, 6-bromo
CID 527565
5-Bromo-1,3-cyclopentadiene
CID 11984638
2-Bromocyclopenta-1,3-diene
CID 12133792
1-Bromocyclopentadiene
CID 12559370
7-Bromocyclohepta-1,3,5-triene
CID 12647108
1-Bromocyclohepta-1,3,5-triene
CID 13040209
3-Bromocycloheptatriene
CID 14897397
1,3-Dibromo[3h]benzene
CID 21614366
Dibromocyclopentadiene
CID 67503363
5,6-Dibromocyclohexa-1,3-diene
CID 76541309
Bromotropylium bromide
CID 91404962

Frequently Asked Questions

What is the IUPAC name of 2-bromocyclohexa-1,3-diene?
The IUPAC name of 2-bromocyclohexa-1,3-diene (CID 527551) is 2-bromocyclohexa-1,3-diene.
What is the SMILES notation for 2-bromocyclohexa-1,3-diene?
The canonical SMILES for 2-bromocyclohexa-1,3-diene is BrC1=CCCC=C1.
What is the InChIKey of 2-bromocyclohexa-1,3-diene?
The InChIKey is IYBFVRUXEKUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-bromocyclohexa-1,3-diene?
2-bromocyclohexa-1,3-diene has a molecular weight of 159.03 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohexa-1,3-diene is sourced from PubChem (CID 527551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).