5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine

C12H8BrCl2NO — CID 103583695

IUPAC5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2ncc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,1H3
InChIKeyQPAWTVXDBVJXSA-UHFFFAOYSA-N
MW333.01 g/mol
LogP5.25
Rot. Bonds2

About 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine

5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine (PubChem CID 103583695) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
PubChem CID103583695
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2ncc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,1H3
InChIKeyQPAWTVXDBVJXSA-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.01
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
CID 64623863
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine (CID 103583695) is 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine is Cc1ccc(Oc2ncc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine?
The InChIKey is QPAWTVXDBVJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,1H3.
What are the key properties of 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine?
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine has a molecular weight of 333.01 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine is sourced from PubChem (CID 103583695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).