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

C13H10BrCl2NO — CID 106994644

IUPAC3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
SMILESCc1cc(OCc2ccc(Cl)nc2Cl)ccc1Br
InChIInChI=1S/C13H10BrCl2NO/c1-8-6-10(3-4-11(8)14)18-7-9-2-5-12(15)17-13(9)16/h2-6H,7H2,1H3
InChIKeyVKKMJXGUIUBPOJ-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.04
Rot. Bonds3

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

3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine (PubChem CID 106994644) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
PubChem CID106994644
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
SMILESCc1cc(OCc2ccc(Cl)nc2Cl)ccc1Br
InChIInChI=1S/C13H10BrCl2NO/c1-8-6-10(3-4-11(8)14)18-7-9-2-5-12(15)17-13(9)16/h2-6H,7H2,1H3
InChIKeyVKKMJXGUIUBPOJ-UHFFFAOYSA-N
XLogP5.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.04
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
CID 106994652
4-[(4-bromo-3-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665972
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
CID 118657703
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
2-[(4-bromo-3-methylphenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83133517
2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
CID 115318324

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine?
The IUPAC name of 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine (CID 106994644) is 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine.
What is the SMILES notation for 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine?
The canonical SMILES for 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine is Cc1cc(OCc2ccc(Cl)nc2Cl)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine?
The InChIKey is VKKMJXGUIUBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-8-6-10(3-4-11(8)14)18-7-9-2-5-12(15)17-13(9)16/h2-6H,7H2,1H3.
What are the key properties of 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine?
3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine has a molecular weight of 347.04 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine is sourced from PubChem (CID 106994644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).