4-azido-1,3-dibromo-2-chloro-5-methoxybenzene

C7H4Br2ClN3O — CID 150421418

IUPAC4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)c(Br)c1N=[N+]=[N-]
InChIInChI=1S/C7H4Br2ClN3O/c1-14-4-2-3(8)6(10)5(9)7(4)12-13-11/h2H,1H3
InChIKeyHHWCRFFJQRKQTA-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.82
Rot. Bonds2

About 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene

4-azido-1,3-dibromo-2-chloro-5-methoxybenzene (PubChem CID 150421418) has the molecular formula C7H4Br2ClN3O and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene.

Molecular Properties

Compound Name4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
PubChem CID150421418
Molecular FormulaC7H4Br2ClN3O
Molecular Weight341.39 g/mol
Exact Mass338.84
IUPAC Name4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)c(Br)c1N=[N+]=[N-]
InChIInChI=1S/C7H4Br2ClN3O/c1-14-4-2-3(8)6(10)5(9)7(4)12-13-11/h2H,1H3
InChIKeyHHWCRFFJQRKQTA-UHFFFAOYSA-N
XLogP4.82
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.82
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4-tribromo-2-chloro-5-methoxybenzene
CID 169336784
1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
2-azido-5-bromo-1,3-dichlorobenzene
CID 43154615
methyl 4-azido-6-bromo-7,8-dichloroquinoline-3-carboxylate
CID 107792746
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-azido-1-bromo-5-methoxy-3-nitrobenzene
CID 169324865
2-azido-1,3-difluoro-4-methoxybenzene
CID 150325663
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772

Frequently Asked Questions

What is the IUPAC name of 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene?
The IUPAC name of 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene (CID 150421418) is 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene.
What is the SMILES notation for 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene?
The canonical SMILES for 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene is COc1cc(Br)c(Cl)c(Br)c1N=[N+]=[N-].
What is the InChIKey of 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene?
The InChIKey is HHWCRFFJQRKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClN3O/c1-14-4-2-3(8)6(10)5(9)7(4)12-13-11/h2H,1H3.
What are the key properties of 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene?
4-azido-1,3-dibromo-2-chloro-5-methoxybenzene has a molecular weight of 341.39 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1,3-dibromo-2-chloro-5-methoxybenzene is sourced from PubChem (CID 150421418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).