2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene

C7H6BrI — CID 101050470

IUPAC2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene
SMILESBrC1=C(I)C2C=CC1C2
InChIInChI=1S/C7H6BrI/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChIKeyNVKPKVDVNLGMME-UHFFFAOYSA-N
MW296.93 g/mol
LogP3.23
Rot. Bonds

About 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene

2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 101050470) has the molecular formula C7H6BrI and a molecular weight of 296.93 g/mol. Its IUPAC name is 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene
PubChem CID101050470
Molecular FormulaC7H6BrI
Molecular Weight296.93 g/mol
Exact Mass295.87
IUPAC Name2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene
SMILESBrC1=C(I)C2C=CC1C2
InChIInChI=1S/C7H6BrI/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChIKeyNVKPKVDVNLGMME-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.93
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,3S,6R,8S)-tetracyclo[6.2.2.13,6.02,7]trideca-2(7),4,9-triene
CID 101270230
4-[(1S,4R)-3-iodo-2-bicyclo[2.2.1]hepta-2,5-dienyl]butan-1-ol
CID 10493683
(4R)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
CID 134964182
trimethyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)silane
CID 71362852
(1S,4S)-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid
CID 98045467
5-(bromomethylidene)bicyclo[2.2.1]hept-2-ene
CID 165356255
2,3-diiodobicyclo[2.1.1]hex-2-ene
CID 11461706
3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene
CID 20528656
(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene
CID 14971118
4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91247246
2-nitroso-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 87066654
5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
CID 141101625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene (CID 101050470) is 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene is BrC1=C(I)C2C=CC1C2.
What is the InChIKey of 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is NVKPKVDVNLGMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrI/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2.
What are the key properties of 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene?
2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 296.93 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-iodobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 101050470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).