5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine

C13H10BrCl2NO — CID 118657703

IUPAC5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
SMILESCc1cc(OCc2cc(Cl)ncc2Br)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c1-8-4-10(2-3-12(8)15)18-7-9-5-13(16)17-6-11(9)14/h2-6H,7H2,1H3
InChIKeyLTKQNYGTKROUFP-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.04
Rot. Bonds3

About 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine

5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine (PubChem CID 118657703) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
PubChem CID118657703
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
SMILESCc1cc(OCc2cc(Cl)ncc2Br)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c1-8-4-10(2-3-12(8)15)18-7-9-5-13(16)17-6-11(9)14/h2-6H,7H2,1H3
InChIKeyLTKQNYGTKROUFP-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

5-bromo-2-chloro-4-[(3,5-dichlorophenoxy)methyl]pyridine
CID 90455942
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336
5-bromo-2-chloro-4-(methoxymethyl)pyridine
CID 142612458
3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
CID 106994644
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
4-[(4-chloro-3-methylphenoxy)methyl]-3-methylbenzonitrile
CID 114481523
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 55077923
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
3-chloro-4-[(4-chloro-3-methylphenoxy)methyl]benzoic acid
CID 102670100
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine?
The IUPAC name of 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine (CID 118657703) is 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine?
The canonical SMILES for 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine is Cc1cc(OCc2cc(Cl)ncc2Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine?
The InChIKey is LTKQNYGTKROUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-8-4-10(2-3-12(8)15)18-7-9-5-13(16)17-6-11(9)14/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine?
5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine 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 5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 118657703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).