2-(4-bromo-3-methylphenoxy)-3-methylpyridine

C13H12BrNO — CID 83139867

IUPAC2-(4-bromo-3-methylphenoxy)-3-methylpyridine
SMILESCc1cc(Oc2ncccc2C)ccc1Br
InChIInChI=1S/C13H12BrNO/c1-9-4-3-7-15-13(9)16-11-5-6-12(14)10(2)8-11/h3-8H,1-2H3
InChIKeyUGNIXWQMSUVMQP-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.25
Rot. Bonds2

About 2-(4-bromo-3-methylphenoxy)-3-methylpyridine

2-(4-bromo-3-methylphenoxy)-3-methylpyridine (PubChem CID 83139867) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-3-methylpyridine
PubChem CID83139867
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-(4-bromo-3-methylphenoxy)-3-methylpyridine
SMILESCc1cc(Oc2ncccc2C)ccc1Br
InChIInChI=1S/C13H12BrNO/c1-9-4-3-7-15-13(9)16-11-5-6-12(14)10(2)8-11/h3-8H,1-2H3
InChIKeyUGNIXWQMSUVMQP-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

2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
CID 63530476
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
CID 83165372
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
CID 83132793
5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 135246490
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-3-methylpyridine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-3-methylpyridine (CID 83139867) is 2-(4-bromo-3-methylphenoxy)-3-methylpyridine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-3-methylpyridine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-3-methylpyridine is Cc1cc(Oc2ncccc2C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-3-methylpyridine?
The InChIKey is UGNIXWQMSUVMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-4-3-7-15-13(9)16-11-5-6-12(14)10(2)8-11/h3-8H,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-3-methylpyridine?
2-(4-bromo-3-methylphenoxy)-3-methylpyridine 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 2-(4-bromo-3-methylphenoxy)-3-methylpyridine is sourced from PubChem (CID 83139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).