1-[(1R)-1-azidopropyl]-4-bromobenzene

C9H10BrN3 — CID 104853560

IUPAC1-[(1R)-1-azidopropyl]-4-bromobenzene
SMILESCC[C@@H](N=[N+]=[N-])c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3/c1-2-9(12-13-11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3/t9-/m1/s1
InChIKeyKRDZUOUXUDYFSW-SECBINFHSA-N
MW240.10 g/mol
LogP4.21
Rot. Bonds3

About 1-[(1R)-1-azidopropyl]-4-bromobenzene

1-[(1R)-1-azidopropyl]-4-bromobenzene (PubChem CID 104853560) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-[(1R)-1-azidopropyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[(1R)-1-azidopropyl]-4-bromobenzene
PubChem CID104853560
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name1-[(1R)-1-azidopropyl]-4-bromobenzene
SMILESCC[C@@H](N=[N+]=[N-])c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3/c1-2-9(12-13-11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3/t9-/m1/s1
InChIKeyKRDZUOUXUDYFSW-SECBINFHSA-N
XLogP4.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 54.21
H-Bond Donors ≤ 50
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

1-[(1R)-1-azidopropyl]-3-methylbenzene
CID 130543467
methyl 4-[4-(1-azidopropyl)phenyl]butanoate
CID 10635156
[(1S)-1-(4-bromophenyl)propyl]azanium
CID 7127716
1-(4-bromophenyl)propane-1-thiol
CID 43124141
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
1-[(1R)-1-azidopropyl]-2-fluorobenzene
CID 104853505
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
1-bromo-4-(4-bromohexan-3-yl)benzene
CID 79307100
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(1-azidobutyl)-4-methylbenzene;1-(4-methylphenyl)butan-1-ol
CID 162117278
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-azidopropyl]-4-bromobenzene?
The IUPAC name of 1-[(1R)-1-azidopropyl]-4-bromobenzene (CID 104853560) is 1-[(1R)-1-azidopropyl]-4-bromobenzene.
What is the SMILES notation for 1-[(1R)-1-azidopropyl]-4-bromobenzene?
The canonical SMILES for 1-[(1R)-1-azidopropyl]-4-bromobenzene is CC[C@@H](N=[N+]=[N-])c1ccc(Br)cc1.
What is the InChIKey of 1-[(1R)-1-azidopropyl]-4-bromobenzene?
The InChIKey is KRDZUOUXUDYFSW-SECBINFHSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-9(12-13-11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-azidopropyl]-4-bromobenzene?
1-[(1R)-1-azidopropyl]-4-bromobenzene has a molecular weight of 240.10 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-azidopropyl]-4-bromobenzene is sourced from PubChem (CID 104853560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).