4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine

C13H11BrClNO — CID 83134736

IUPAC4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
SMILESCc1cc(Oc2ccnc(CCl)c2)ccc1Br
InChIInChI=1S/C13H11BrClNO/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,8H2,1H3
InChIKeyHETAEFNWSRPXGO-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.68
Rot. Bonds3

About 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine

4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine (PubChem CID 83134736) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
PubChem CID83134736
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
SMILESCc1cc(Oc2ccnc(CCl)c2)ccc1Br
InChIInChI=1S/C13H11BrClNO/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,8H2,1H3
InChIKeyHETAEFNWSRPXGO-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.68
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

4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
CID 65201517
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 83134272
2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
CID 63446226
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 61269909
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
CID 63446362
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine (CID 83134736) is 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine is Cc1cc(Oc2ccnc(CCl)c2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine?
The InChIKey is HETAEFNWSRPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,8H2,1H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine?
4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine is sourced from PubChem (CID 83134736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).