5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine

C13H11BrClNO — CID 114870687

IUPAC5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
SMILESCc1ccc(Cl)c(Oc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C13H11BrClNO/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3
InChIKeyLZGKFCDMJAVVDW-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine

5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine (PubChem CID 114870687) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
PubChem CID114870687
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
SMILESCc1ccc(Cl)c(Oc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C13H11BrClNO/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3
InChIKeyLZGKFCDMJAVVDW-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
CID 114869765
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629
5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
CID 118344313
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine (CID 114870687) is 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine is Cc1ccc(Cl)c(Oc2cc(C)c(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine?
The InChIKey is LZGKFCDMJAVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3.
What are the key properties of 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine?
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine has a molecular weight of 312.59 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine is sourced from PubChem (CID 114870687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).