3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine

C11H9BrN2O — CID 104778902

IUPAC3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccncc2Br)cn1
InChIInChI=1S/C11H9BrN2O/c1-8-2-3-9(6-14-8)15-11-4-5-13-7-10(11)12/h2-7H,1H3
InChIKeyXPEHUSSXGSXXAW-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.34
Rot. Bonds2

About 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine

3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine (PubChem CID 104778902) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
PubChem CID104778902
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccncc2Br)cn1
InChIInChI=1S/C11H9BrN2O/c1-8-2-3-9(6-14-8)15-11-4-5-13-7-10(11)12/h2-7H,1H3
InChIKeyXPEHUSSXGSXXAW-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943
3-bromo-4-(4-propoxyphenoxy)pyridine
CID 104778843
3-bromo-4-(4-iodophenoxy)pyridine
CID 104776662
3-bromo-4-(4-bromo-3-fluorophenoxy)pyridine
CID 104776669
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
3-bromo-4-(4-methyl-3-nitrophenoxy)pyridine
CID 114252563
4-(4-benzylphenoxy)-3-bromopyridine
CID 104778913
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine?
The IUPAC name of 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine (CID 104778902) is 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine.
What is the SMILES notation for 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine?
The canonical SMILES for 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine is Cc1ccc(Oc2ccncc2Br)cn1.
What is the InChIKey of 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine?
The InChIKey is XPEHUSSXGSXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8-2-3-9(6-14-8)15-11-4-5-13-7-10(11)12/h2-7H,1H3.
What are the key properties of 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine?
3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine has a molecular weight of 265.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine is sourced from PubChem (CID 104778902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).