5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine

C14H13BrClNO2 — CID 55060803

IUPAC5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
SMILESCCOc1cccc(Oc2ncc(Br)cc2CCl)c1
InChIInChI=1S/C14H13BrClNO2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-16)6-11(15)9-17-14/h3-7,9H,2,8H2,1H3
InChIKeyRTBGFXIBWYVMQD-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.77
Rot. Bonds5

About 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine

5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine (PubChem CID 55060803) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
PubChem CID55060803
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
SMILESCCOc1cccc(Oc2ncc(Br)cc2CCl)c1
InChIInChI=1S/C14H13BrClNO2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-16)6-11(15)9-17-14/h3-7,9H,2,8H2,1H3
InChIKeyRTBGFXIBWYVMQD-UHFFFAOYSA-N
XLogP4.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine (CID 55060803) is 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine is CCOc1cccc(Oc2ncc(Br)cc2CCl)c1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine?
The InChIKey is RTBGFXIBWYVMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-16)6-11(15)9-17-14/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine has a molecular weight of 342.62 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine is sourced from PubChem (CID 55060803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).