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

C14H13BrClNO — CID 63446322

IUPAC5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ncc(Br)cc2CCl)c(C)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-4-13(10(2)5-9)18-14-11(7-16)6-12(15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyTYJZDCCQVLXLOJ-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.99
Rot. Bonds3

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

5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine (PubChem CID 63446322) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
PubChem CID63446322
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ncc(Br)cc2CCl)c(C)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-4-13(10(2)5-9)18-14-11(7-16)6-12(15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyTYJZDCCQVLXLOJ-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.99
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-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine (CID 63446322) is 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine is Cc1ccc(Oc2ncc(Br)cc2CCl)c(C)c1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine?
The InChIKey is TYJZDCCQVLXLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-3-4-13(10(2)5-9)18-14-11(7-16)6-12(15)8-17-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine has a molecular weight of 326.62 g/mol, XLogP of 4.99, 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-(2,4-dimethylphenoxy)pyridine is sourced from PubChem (CID 63446322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).