3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine

C13H11BrClNO — CID 107088857

IUPAC3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
SMILESCc1ncccc1Oc1ccc(Cl)cc1CBr
InChIInChI=1S/C13H11BrClNO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3
InChIKeySKYSZKJUGDIVCA-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.73
Rot. Bonds3

About 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine

3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine (PubChem CID 107088857) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine.

Molecular Properties

Compound Name3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
PubChem CID107088857
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
SMILESCc1ncccc1Oc1ccc(Cl)cc1CBr
InChIInChI=1S/C13H11BrClNO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3
InChIKeySKYSZKJUGDIVCA-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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

3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
1-[2-(bromomethyl)-4-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087609
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
2-[2-(bromomethyl)-4-nitrophenoxy]-4-chloro-1-methylbenzene
CID 107088797

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine?
The IUPAC name of 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine (CID 107088857) is 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine.
What is the SMILES notation for 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine?
The canonical SMILES for 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine is Cc1ncccc1Oc1ccc(Cl)cc1CBr.
What is the InChIKey of 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine?
The InChIKey is SKYSZKJUGDIVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3.
What are the key properties of 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine?
3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine has a molecular weight of 312.59 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine is sourced from PubChem (CID 107088857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).