3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine

C13H10BrCl2NO2 — CID 106994652

IUPAC3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
SMILESCOc1ccc(OCc2ccc(Cl)nc2Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO2/c1-18-9-3-4-11(10(14)6-9)19-7-8-2-5-12(15)17-13(8)16/h2-6H,7H2,1H3
InChIKeyRDODEKRHBGYEFB-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.74
Rot. Bonds4

About 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine

3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine (PubChem CID 106994652) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine.

Molecular Properties

Compound Name3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
PubChem CID106994652
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
SMILESCOc1ccc(OCc2ccc(Cl)nc2Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO2/c1-18-9-3-4-11(10(14)6-9)19-7-8-2-5-12(15)17-13(8)16/h2-6H,7H2,1H3
InChIKeyRDODEKRHBGYEFB-UHFFFAOYSA-N
XLogP4.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
CID 106994644
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
CID 18504688
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine?
The IUPAC name of 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine (CID 106994652) is 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine.
What is the SMILES notation for 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine?
The canonical SMILES for 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine is COc1ccc(OCc2ccc(Cl)nc2Cl)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine?
The InChIKey is RDODEKRHBGYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c1-18-9-3-4-11(10(14)6-9)19-7-8-2-5-12(15)17-13(8)16/h2-6H,7H2,1H3.
What are the key properties of 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine?
3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine has a molecular weight of 363.04 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine is sourced from PubChem (CID 106994652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).