2-[[3-(chloromethyl)phenoxy]methyl]pyridine

C13H12ClNO — CID 28534890

IUPAC2-[[3-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C13H12ClNO/c14-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-15-12/h1-8H,9-10H2
InChIKeyMFZYNKVMEKZYQE-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.40
Rot. Bonds4

About 2-[[3-(chloromethyl)phenoxy]methyl]pyridine

2-[[3-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 28534890) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID28534890
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-[[3-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C13H12ClNO/c14-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-15-12/h1-8H,9-10H2
InChIKeyMFZYNKVMEKZYQE-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.40
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

2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-(chloromethyl)phenoxy]methyl]pyridine (CID 28534890) is 2-[[3-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-(chloromethyl)phenoxy]methyl]pyridine is ClCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[[3-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is MFZYNKVMEKZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-15-12/h1-8H,9-10H2.
What are the key properties of 2-[[3-(chloromethyl)phenoxy]methyl]pyridine?
2-[[3-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 28534890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).