5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine

C13H10BrCl2NO — CID 63447244

IUPAC5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2ncc(Br)cc2CCl)c1
InChIInChI=1S/C13H10BrCl2NO/c1-8-2-3-11(16)12(4-8)18-13-9(6-15)5-10(14)7-17-13/h2-5,7H,6H2,1H3
InChIKeyFTCWROPLPLKQSV-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.34
Rot. Bonds3

About 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine

5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine (PubChem CID 63447244) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
PubChem CID63447244
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2ncc(Br)cc2CCl)c1
InChIInChI=1S/C13H10BrCl2NO/c1-8-2-3-11(16)12(4-8)18-13-9(6-15)5-10(14)7-17-13/h2-5,7H,6H2,1H3
InChIKeyFTCWROPLPLKQSV-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
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-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
4-(chloromethyl)-1-(2-chloro-4-methylphenoxy)isoquinoline
CID 106769583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine (CID 63447244) is 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine is Cc1ccc(Cl)c(Oc2ncc(Br)cc2CCl)c1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine?
The InChIKey is FTCWROPLPLKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-8-2-3-11(16)12(4-8)18-13-9(6-15)5-10(14)7-17-13/h2-5,7H,6H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine has a molecular weight of 347.04 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine is sourced from PubChem (CID 63447244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).