3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine

C12H8BrCl2NO — CID 115580492

IUPAC3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2cncc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c13-9-3-8(5-16-6-9)7-17-12-2-1-10(14)4-11(12)15/h1-6H,7H2
InChIKeyPZNLERVZFMWRPY-UHFFFAOYSA-N
MW333.01 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine

3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine (PubChem CID 115580492) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
PubChem CID115580492
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2cncc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c13-9-3-8(5-16-6-9)7-17-12-2-1-10(14)4-11(12)15/h1-6H,7H2
InChIKeyPZNLERVZFMWRPY-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.01
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
CID 104796585
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 104799161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine (CID 115580492) is 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine is Clc1ccc(OCc2cncc(Br)c2)c(Cl)c1.
What is the InChIKey of 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine?
The InChIKey is PZNLERVZFMWRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c13-9-3-8(5-16-6-9)7-17-12-2-1-10(14)4-11(12)15/h1-6H,7H2.
What are the key properties of 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine?
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine has a molecular weight of 333.01 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine is sourced from PubChem (CID 115580492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).