3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

C13H10BrCl2NO — CID 104799200

IUPAC3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1c(Cl)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H10BrCl2NO/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(16)11(13)5-15/h1-4,6-7H,5,8H2
InChIKeyGZDSLNYSEFLPKO-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.82
Rot. Bonds4

About 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 104799200) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID104799200
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1c(Cl)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H10BrCl2NO/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(16)11(13)5-15/h1-4,6-7H,5,8H2
InChIKeyGZDSLNYSEFLPKO-UHFFFAOYSA-N
XLogP4.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 104796439
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 114320741
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 104799161
3-bromo-5-[(2-chloro-6-nitrophenoxy)methyl]pyridine
CID 103764410
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (CID 104799200) is 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is ClCc1c(Cl)cccc1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is GZDSLNYSEFLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(16)11(13)5-15/h1-4,6-7H,5,8H2.
What are the key properties of 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 347.04 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 104799200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).