5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine

C14H14BrNO — CID 107087048

IUPAC5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1ncc(CBr)cc1C
InChIInChI=1S/C14H14BrNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyIUBKRMFIYAKBJQ-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.39
Rot. Bonds3

About 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine

5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine (PubChem CID 107087048) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
PubChem CID107087048
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1ncc(CBr)cc1C
InChIInChI=1S/C14H14BrNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyIUBKRMFIYAKBJQ-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
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
[6-(2-ethoxyphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628736
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 80628218
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine (CID 107087048) is 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine is Cc1ccccc1Oc1ncc(CBr)cc1C.
What is the InChIKey of 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The InChIKey is IUBKRMFIYAKBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine has a molecular weight of 292.18 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine is sourced from PubChem (CID 107087048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).