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

C10H6BrCl2N3O2 — CID 104707066

IUPAC5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
SMILESCOc1ccc(Oc2nc(Cl)nnc2Cl)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3O2/c1-17-5-2-3-7(6(11)4-5)18-9-8(12)15-16-10(13)14-9/h2-4H,1H3
InChIKeyBPSSRJPNRDMIDS-UHFFFAOYSA-N
MW350.99 g/mol
LogP3.74
Rot. Bonds3

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

5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine (PubChem CID 104707066) has the molecular formula C10H6BrCl2N3O2 and a molecular weight of 350.99 g/mol. Its IUPAC name is 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine.

Molecular Properties

Compound Name5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
PubChem CID104707066
Molecular FormulaC10H6BrCl2N3O2
Molecular Weight350.99 g/mol
Exact Mass348.90
IUPAC Name5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
SMILESCOc1ccc(Oc2nc(Cl)nnc2Cl)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3O2/c1-17-5-2-3-7(6(11)4-5)18-9-8(12)15-16-10(13)14-9/h2-4H,1H3
InChIKeyBPSSRJPNRDMIDS-UHFFFAOYSA-N
XLogP3.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
CID 114270911
5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
CID 81035281
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
CID 81036257
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine?
The IUPAC name of 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine (CID 104707066) is 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine.
What is the SMILES notation for 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine?
The canonical SMILES for 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine is COc1ccc(Oc2nc(Cl)nnc2Cl)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine?
The InChIKey is BPSSRJPNRDMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O2/c1-17-5-2-3-7(6(11)4-5)18-9-8(12)15-16-10(13)14-9/h2-4H,1H3.
What are the key properties of 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine?
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine has a molecular weight of 350.99 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine is sourced from PubChem (CID 104707066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).