3-bromo-4-methyl-2-(2-methylphenoxy)pyridine

C13H12BrNO — CID 106877761

IUPAC3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1nccc(C)c1Br
InChIInChI=1S/C13H12BrNO/c1-9-5-3-4-6-11(9)16-13-12(14)10(2)7-8-15-13/h3-8H,1-2H3
InChIKeyOTFSTWAKAHXBQO-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.25
Rot. Bonds2

About 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine

3-bromo-4-methyl-2-(2-methylphenoxy)pyridine (PubChem CID 106877761) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
PubChem CID106877761
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1nccc(C)c1Br
InChIInChI=1S/C13H12BrNO/c1-9-5-3-4-6-11(9)16-13-12(14)10(2)7-8-15-13/h3-8H,1-2H3
InChIKeyOTFSTWAKAHXBQO-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
3-(2-methylphenoxy)pyrazin-2-amine
CID 102987840
2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106878063
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-[(3-bromo-4-methyl-2-pyridinyl)oxy]-1-benzofuran-2-carbonitrile
CID 106878092
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine (CID 106877761) is 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine is Cc1ccccc1Oc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine?
The InChIKey is OTFSTWAKAHXBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-5-3-4-6-11(9)16-13-12(14)10(2)7-8-15-13/h3-8H,1-2H3.
What are the key properties of 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine?
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine has a molecular weight of 278.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-(2-methylphenoxy)pyridine is sourced from PubChem (CID 106877761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).