5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine

C13H13BrN2O — CID 107088846

IUPAC5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
SMILESCc1cc(CBr)cnc1Oc1cccnc1C
InChIInChI=1S/C13H13BrN2O/c1-9-6-11(7-14)8-16-13(9)17-12-4-3-5-15-10(12)2/h3-6,8H,7H2,1-2H3
InChIKeyFUHIFSHBBNAMMF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.78
Rot. Bonds3

About 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine

5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine (PubChem CID 107088846) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
PubChem CID107088846
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
SMILESCc1cc(CBr)cnc1Oc1cccnc1C
InChIInChI=1S/C13H13BrN2O/c1-9-6-11(7-14)8-16-13(9)17-12-4-3-5-15-10(12)2/h3-6,8H,7H2,1-2H3
InChIKeyFUHIFSHBBNAMMF-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 80628218
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
CID 107087634
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
CID 107088857
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
2-[2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 114057582
[6-(2-ethoxyphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628736

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine?
The IUPAC name of 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine (CID 107088846) is 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine?
The canonical SMILES for 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine is Cc1cc(CBr)cnc1Oc1cccnc1C.
What is the InChIKey of 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine?
The InChIKey is FUHIFSHBBNAMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-6-11(7-14)8-16-13(9)17-12-4-3-5-15-10(12)2/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine?
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine has a molecular weight of 293.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine is sourced from PubChem (CID 107088846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).