1-azido-2-bromohexane

C6H12BrN3 — CID 134993142

IUPAC1-azido-2-bromohexane
SMILESCCCCC(Br)CN=[N+]=[N-]
InChIInChI=1S/C6H12BrN3/c1-2-3-4-6(7)5-9-10-8/h6H,2-5H2,1H3
InChIKeyWQYZYENKORVWQW-UHFFFAOYSA-N
MW206.09 g/mol
LogP3.25
Rot. Bonds5

About 1-azido-2-bromohexane

1-azido-2-bromohexane (PubChem CID 134993142) has the molecular formula C6H12BrN3 and a molecular weight of 206.09 g/mol. Its IUPAC name is 1-azido-2-bromohexane.

Molecular Properties

Compound Name1-azido-2-bromohexane
PubChem CID134993142
Molecular FormulaC6H12BrN3
Molecular Weight206.09 g/mol
Exact Mass205.02
IUPAC Name1-azido-2-bromohexane
SMILESCCCCC(Br)CN=[N+]=[N-]
InChIInChI=1S/C6H12BrN3/c1-2-3-4-6(7)5-9-10-8/h6H,2-5H2,1H3
InChIKeyWQYZYENKORVWQW-UHFFFAOYSA-N
XLogP3.25
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

1-azidohexan-2-ol
CID 11171039
1-azidobutane
CID 4563922
1-azidotriacontane
CID 71752669
(2R)-2-bromohexan-1-ol
CID 131142096
1-azidohexadecane
CID 11230945
(3R)-1,3-dibromoheptane
CID 129379896
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,4-dibromononane
CID 123668754
2,4-dibromooctane
CID 150795215
1-azidooctane;hydrochloride
CID 175871639
1-azidohexan-2-yl diphenyl phosphate
CID 15441303

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-bromohexane?
The IUPAC name of 1-azido-2-bromohexane (CID 134993142) is 1-azido-2-bromohexane.
What is the SMILES notation for 1-azido-2-bromohexane?
The canonical SMILES for 1-azido-2-bromohexane is CCCCC(Br)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2-bromohexane?
The InChIKey is WQYZYENKORVWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN3/c1-2-3-4-6(7)5-9-10-8/h6H,2-5H2,1H3.
What are the key properties of 1-azido-2-bromohexane?
1-azido-2-bromohexane has a molecular weight of 206.09 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-bromohexane is sourced from PubChem (CID 134993142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).