5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine

C8H3BrCl2N4O — CID 81038303

IUPAC5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2cncc(Br)c2)n1
InChIInChI=1S/C8H3BrCl2N4O/c9-4-1-5(3-12-2-4)16-7-6(10)14-15-8(11)13-7/h1-3H
InChIKeyORRGKEKCGYBWCX-UHFFFAOYSA-N
MW321.95 g/mol
LogP3.13
Rot. Bonds2

About 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine

5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine (PubChem CID 81038303) has the molecular formula C8H3BrCl2N4O and a molecular weight of 321.95 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine
PubChem CID81038303
Molecular FormulaC8H3BrCl2N4O
Molecular Weight321.95 g/mol
Exact Mass319.89
IUPAC Name5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2cncc(Br)c2)n1
InChIInChI=1S/C8H3BrCl2N4O/c9-4-1-5(3-12-2-4)16-7-6(10)14-15-8(11)13-7/h1-3H
InChIKeyORRGKEKCGYBWCX-UHFFFAOYSA-N
XLogP3.13
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine (CID 81038303) is 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine is Clc1nnc(Cl)c(Oc2cncc(Br)c2)n1.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine?
The InChIKey is ORRGKEKCGYBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N4O/c9-4-1-5(3-12-2-4)16-7-6(10)14-15-8(11)13-7/h1-3H.
What are the key properties of 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine?
5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine has a molecular weight of 321.95 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)oxy]-3,6-dichloro-1,2,4-triazine is sourced from PubChem (CID 81038303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).