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

C9H2BrCl3FN3O — CID 114270911

IUPAC5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
SMILESFc1cc(Oc2nc(Cl)nnc2Cl)c(Cl)cc1Br
InChIInChI=1S/C9H2BrCl3FN3O/c10-3-1-4(11)6(2-5(3)14)18-8-7(12)16-17-9(13)15-8/h1-2H
InChIKeyACACIACCUTUXFC-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.53
Rot. Bonds2

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

5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine (PubChem CID 114270911) has the molecular formula C9H2BrCl3FN3O and a molecular weight of 373.40 g/mol. Its IUPAC name is 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
PubChem CID114270911
Molecular FormulaC9H2BrCl3FN3O
Molecular Weight373.40 g/mol
Exact Mass370.84
IUPAC Name5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
SMILESFc1cc(Oc2nc(Cl)nnc2Cl)c(Cl)cc1Br
InChIInChI=1S/C9H2BrCl3FN3O/c10-3-1-4(11)6(2-5(3)14)18-8-7(12)16-17-9(13)15-8/h1-2H
InChIKeyACACIACCUTUXFC-UHFFFAOYSA-N
XLogP4.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine
CID 114270896
3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
CID 81036257
4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
CID 114042647
1-bromo-4-chloro-2-fluoro-5-(4-methoxyphenoxy)benzene
CID 90434539
3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
CID 81036456
5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
CID 81035281
5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine
CID 81038303
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
CID 114270905

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine?
The IUPAC name of 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine (CID 114270911) is 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine.
What is the SMILES notation for 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine?
The canonical SMILES for 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine is Fc1cc(Oc2nc(Cl)nnc2Cl)c(Cl)cc1Br.
What is the InChIKey of 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine?
The InChIKey is ACACIACCUTUXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2BrCl3FN3O/c10-3-1-4(11)6(2-5(3)14)18-8-7(12)16-17-9(13)15-8/h1-2H.
What are the key properties of 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine?
5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine has a molecular weight of 373.40 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine is sourced from PubChem (CID 114270911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).