2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine

C9H4BrCl2N3O — CID 3858351

IUPAC2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C9H4BrCl2N3O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H
InChIKeyPBAPUAPJFVDUGU-UHFFFAOYSA-N
MW320.96 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine

2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine (PubChem CID 3858351) has the molecular formula C9H4BrCl2N3O and a molecular weight of 320.96 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
PubChem CID3858351
Molecular FormulaC9H4BrCl2N3O
Molecular Weight320.96 g/mol
Exact Mass318.89
IUPAC Name2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C9H4BrCl2N3O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H
InChIKeyPBAPUAPJFVDUGU-UHFFFAOYSA-N
XLogP3.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.96
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine 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

2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
CID 80864750
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
CID 81332174
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
5-(4-bromophenoxy)-2-chloropyrimidine
CID 117224632
2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
CID 21413010
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
4-[[6-[4-(4-bromo-N-(4-bromophenyl)anilino)phenoxy]-1,2,4,5-tetrazin-3-yl]oxy]-N,N-bis(4-bromophenyl)aniline
CID 57379167

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine (CID 3858351) is 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine is Clc1nc(Cl)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine?
The InChIKey is PBAPUAPJFVDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2N3O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H.
What are the key properties of 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine?
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine has a molecular weight of 320.96 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 3858351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).