3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine

C8H6Br2N4O — CID 106597689

IUPAC3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCn1cnc(Oc2ncc(Br)cc2Br)n1
InChIInChI=1S/C8H6Br2N4O/c1-14-4-12-8(13-14)15-7-6(10)2-5(9)3-11-7/h2-4H,1H3
InChIKeyYXASKKOWCYYIGK-UHFFFAOYSA-N
MW333.97 g/mol
LogP2.53
Rot. Bonds2

About 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine

3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine (PubChem CID 106597689) has the molecular formula C8H6Br2N4O and a molecular weight of 333.97 g/mol. Its IUPAC name is 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
PubChem CID106597689
Molecular FormulaC8H6Br2N4O
Molecular Weight333.97 g/mol
Exact Mass331.89
IUPAC Name3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCn1cnc(Oc2ncc(Br)cc2Br)n1
InChIInChI=1S/C8H6Br2N4O/c1-14-4-12-8(13-14)15-7-6(10)2-5(9)3-11-7/h2-4H,1H3
InChIKeyYXASKKOWCYYIGK-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
CID 106596710
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106598643
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine
CID 106596929
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
[3,5-dichloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]hydrazine
CID 106598864

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The IUPAC name of 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine (CID 106597689) is 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine.
What is the SMILES notation for 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The canonical SMILES for 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine is Cn1cnc(Oc2ncc(Br)cc2Br)n1.
What is the InChIKey of 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The InChIKey is YXASKKOWCYYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N4O/c1-14-4-12-8(13-14)15-7-6(10)2-5(9)3-11-7/h2-4H,1H3.
What are the key properties of 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine has a molecular weight of 333.97 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine is sourced from PubChem (CID 106597689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).