1-azido-2-bromo-4-chloro-5-methoxybenzene

C7H5BrClN3O — CID 150038194

IUPAC1-azido-2-bromo-4-chloro-5-methoxybenzene
SMILESCOc1cc(N=[N+]=[N-])c(Br)cc1Cl
InChIInChI=1S/C7H5BrClN3O/c1-13-7-3-6(11-12-10)4(8)2-5(7)9/h2-3H,1H3
InChIKeyDISDIFMSLBAHQG-UHFFFAOYSA-N
MW262.49 g/mol
LogP4.05
Rot. Bonds2

About 1-azido-2-bromo-4-chloro-5-methoxybenzene

1-azido-2-bromo-4-chloro-5-methoxybenzene (PubChem CID 150038194) has the molecular formula C7H5BrClN3O and a molecular weight of 262.49 g/mol. Its IUPAC name is 1-azido-2-bromo-4-chloro-5-methoxybenzene.

Molecular Properties

Compound Name1-azido-2-bromo-4-chloro-5-methoxybenzene
PubChem CID150038194
Molecular FormulaC7H5BrClN3O
Molecular Weight262.49 g/mol
Exact Mass260.93
IUPAC Name1-azido-2-bromo-4-chloro-5-methoxybenzene
SMILESCOc1cc(N=[N+]=[N-])c(Br)cc1Cl
InChIInChI=1S/C7H5BrClN3O/c1-13-7-3-6(11-12-10)4(8)2-5(7)9/h2-3H,1H3
InChIKeyDISDIFMSLBAHQG-UHFFFAOYSA-N
XLogP4.05
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-azido-5-chloro-4-methoxybenzaldehyde
CID 129103842
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
CID 150421418
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
N-(2-bromo-4-chloro-5-methoxyphenyl)formamide
CID 168654011
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
CID 62481867
methyl N'-(2-bromo-5-chloro-4-methoxyphenyl)-N-cyanocarbamimidothioate
CID 169363724
2-azido-5-bromo-1,3-dichlorobenzene
CID 43154615

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-bromo-4-chloro-5-methoxybenzene?
The IUPAC name of 1-azido-2-bromo-4-chloro-5-methoxybenzene (CID 150038194) is 1-azido-2-bromo-4-chloro-5-methoxybenzene.
What is the SMILES notation for 1-azido-2-bromo-4-chloro-5-methoxybenzene?
The canonical SMILES for 1-azido-2-bromo-4-chloro-5-methoxybenzene is COc1cc(N=[N+]=[N-])c(Br)cc1Cl.
What is the InChIKey of 1-azido-2-bromo-4-chloro-5-methoxybenzene?
The InChIKey is DISDIFMSLBAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3O/c1-13-7-3-6(11-12-10)4(8)2-5(7)9/h2-3H,1H3.
What are the key properties of 1-azido-2-bromo-4-chloro-5-methoxybenzene?
1-azido-2-bromo-4-chloro-5-methoxybenzene has a molecular weight of 262.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-bromo-4-chloro-5-methoxybenzene is sourced from PubChem (CID 150038194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).