2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole

C7H7BrN4 — CID 169462957

IUPAC2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole
SMILES[N-]=[N+]=NCC=Cc1cc(Br)c[nH]1
InChIInChI=1S/C7H7BrN4/c8-6-4-7(10-5-6)2-1-3-11-12-9/h1-2,4-5,10H,3H2
InChIKeyUYYIRCIHDNXZHV-UHFFFAOYSA-N
MW227.06 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole

2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole (PubChem CID 169462957) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole
PubChem CID169462957
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole
SMILES[N-]=[N+]=NCC=Cc1cc(Br)c[nH]1
InChIInChI=1S/C7H7BrN4/c8-6-4-7(10-5-6)2-1-3-11-12-9/h1-2,4-5,10H,3H2
InChIKeyUYYIRCIHDNXZHV-UHFFFAOYSA-N
XLogP3.10
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)-2,6-dibromophenol
CID 169462874
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
2-(3-azidoprop-1-enyl)-3-bromo-1-fluoro-4-methylbenzene
CID 169462858
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
(E)-3-(4-bromo-1H-pyrrol-2-yl)prop-2-enoic acid
CID 58966993
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
1-[3-(3-azidoprop-1-enyl)phenyl]pyrrolidine
CID 169462444
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
6-(3-azidoprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169461887

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole?
The IUPAC name of 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole (CID 169462957) is 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole is [N-]=[N+]=NCC=Cc1cc(Br)c[nH]1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole?
The InChIKey is UYYIRCIHDNXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c8-6-4-7(10-5-6)2-1-3-11-12-9/h1-2,4-5,10H,3H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole?
2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole has a molecular weight of 227.06 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole is sourced from PubChem (CID 169462957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).