(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene

C11H13Br2N3 — CID 121221217

IUPAC(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene
SMILESCc1cc(Br)c(/N=N/N2CCCC2)c(Br)c1
InChIInChI=1S/C11H13Br2N3/c1-8-6-9(12)11(10(13)7-8)14-15-16-4-2-3-5-16/h6-7H,2-5H2,1H3/b15-14+
InChIKeyGFRQTTDHVQFCQN-CCEZHUSRSA-N
MW347.05 g/mol
LogP4.61
Rot. Bonds2

About (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene

(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene (PubChem CID 121221217) has the molecular formula C11H13Br2N3 and a molecular weight of 347.05 g/mol. Its IUPAC name is (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene.

Molecular Properties

Compound Name(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene
PubChem CID121221217
Molecular FormulaC11H13Br2N3
Molecular Weight347.05 g/mol
Exact Mass344.95
IUPAC Name(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene
SMILESCc1cc(Br)c(/N=N/N2CCCC2)c(Br)c1
InChIInChI=1S/C11H13Br2N3/c1-8-6-9(12)11(10(13)7-8)14-15-16-4-2-3-5-16/h6-7H,2-5H2,1H3/b15-14+
InChIKeyGFRQTTDHVQFCQN-CCEZHUSRSA-N
XLogP4.61
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene?
The IUPAC name of (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene (CID 121221217) is (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene.
What is the SMILES notation for (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene?
The canonical SMILES for (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene is Cc1cc(Br)c(/N=N/N2CCCC2)c(Br)c1.
What is the InChIKey of (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene?
The InChIKey is GFRQTTDHVQFCQN-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H13Br2N3/c1-8-6-9(12)11(10(13)7-8)14-15-16-4-2-3-5-16/h6-7H,2-5H2,1H3/b15-14+.
What are the key properties of (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene?
(2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene has a molecular weight of 347.05 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-methylphenyl)-pyrrolidin-1-yldiazene is sourced from PubChem (CID 121221217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).