(5-bromo-2-pyridinyl)-propan-2-yldiazene

C8H10BrN3 — CID 91176220

IUPAC(5-bromo-2-pyridinyl)-propan-2-yldiazene
SMILESCC(C)/N=N/c1ccc(Br)cn1
InChIInChI=1S/C8H10BrN3/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b12-11+
InChIKeyLSNRORFQPMHXLP-VAWYXSNFSA-N
MW228.09 g/mol
LogP3.34
Rot. Bonds2

About (5-bromo-2-pyridinyl)-propan-2-yldiazene

(5-bromo-2-pyridinyl)-propan-2-yldiazene (PubChem CID 91176220) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-propan-2-yldiazene
PubChem CID91176220
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name(5-bromo-2-pyridinyl)-propan-2-yldiazene
SMILESCC(C)/N=N/c1ccc(Br)cn1
InChIInChI=1S/C8H10BrN3/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b12-11+
InChIKeyLSNRORFQPMHXLP-VAWYXSNFSA-N
XLogP3.34
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide
CID 66746222
(5-bromo-2-pyridinyl)-trimethylstannane
CID 11151376
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
CID 135552954
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
2,5-dibromopyridine;ethane
CID 90871570
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline
CID 15535148
N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine
CID 54377509

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-propan-2-yldiazene?
The IUPAC name of (5-bromo-2-pyridinyl)-propan-2-yldiazene (CID 91176220) is (5-bromo-2-pyridinyl)-propan-2-yldiazene.
What is the SMILES notation for (5-bromo-2-pyridinyl)-propan-2-yldiazene?
The canonical SMILES for (5-bromo-2-pyridinyl)-propan-2-yldiazene is CC(C)/N=N/c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-propan-2-yldiazene?
The InChIKey is LSNRORFQPMHXLP-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b12-11+.
What are the key properties of (5-bromo-2-pyridinyl)-propan-2-yldiazene?
(5-bromo-2-pyridinyl)-propan-2-yldiazene has a molecular weight of 228.09 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-propan-2-yldiazene is sourced from PubChem (CID 91176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).