5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine

C14H12Br2ClNO — CID 107725632

IUPAC5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
SMILESCc1cc(Oc2ncc(Br)cc2CCl)cc(C)c1Br
InChIInChI=1S/C14H12Br2ClNO/c1-8-3-12(4-9(2)13(8)16)19-14-10(6-17)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3
InChIKeyOTRLXJBNVRWPIC-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.75
Rot. Bonds3

About 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine

5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine (PubChem CID 107725632) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
PubChem CID107725632
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
SMILESCc1cc(Oc2ncc(Br)cc2CCl)cc(C)c1Br
InChIInChI=1S/C14H12Br2ClNO/c1-8-3-12(4-9(2)13(8)16)19-14-10(6-17)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3
InChIKeyOTRLXJBNVRWPIC-UHFFFAOYSA-N
XLogP5.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.75
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-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine?
The IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine (CID 107725632) is 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine is Cc1cc(Oc2ncc(Br)cc2CCl)cc(C)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine?
The InChIKey is OTRLXJBNVRWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c1-8-3-12(4-9(2)13(8)16)19-14-10(6-17)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine?
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine has a molecular weight of 405.52 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine is sourced from PubChem (CID 107725632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).