5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine

C13H9BrCl3NO — CID 104799100

IUPAC5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C13H9BrCl3NO/c14-9-1-2-11(18-6-9)7-19-13-8(5-15)3-10(16)4-12(13)17/h1-4,6H,5,7H2
InChIKeyNOTSYVLZKBUBCX-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.47
Rot. Bonds4

About 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine

5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 104799100) has the molecular formula C13H9BrCl3NO and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID104799100
Molecular FormulaC13H9BrCl3NO
Molecular Weight381.48 g/mol
Exact Mass378.89
IUPAC Name5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C13H9BrCl3NO/c14-9-1-2-11(18-6-9)7-19-13-8(5-15)3-10(16)4-12(13)17/h1-4,6H,5,7H2
InChIKeyNOTSYVLZKBUBCX-UHFFFAOYSA-N
XLogP5.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
CID 104796586
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]benzonitrile
CID 43516336
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine (CID 104799100) is 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine is ClCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is NOTSYVLZKBUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3NO/c14-9-1-2-11(18-6-9)7-19-13-8(5-15)3-10(16)4-12(13)17/h1-4,6H,5,7H2.
What are the key properties of 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine?
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 381.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 104799100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).