5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine

C14H13Br2NO — CID 107284943

IUPAC5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
SMILESCc1ccc(Br)cc1Oc1ncc(CBr)cc1C
InChIInChI=1S/C14H13Br2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyNOQZRRNZIURTJS-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.15
Rot. Bonds3

About 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine

5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine (PubChem CID 107284943) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
PubChem CID107284943
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
SMILESCc1ccc(Br)cc1Oc1ncc(CBr)cc1C
InChIInChI=1S/C14H13Br2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyNOQZRRNZIURTJS-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.15
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-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
CID 80628036
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
CID 107087634
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine (CID 107284943) is 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine is Cc1ccc(Br)cc1Oc1ncc(CBr)cc1C.
What is the InChIKey of 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine?
The InChIKey is NOQZRRNZIURTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine?
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine has a molecular weight of 371.07 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine is sourced from PubChem (CID 107284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).