3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine

C14H14ClNO — CID 102881690

IUPAC3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
SMILESCc1cncc(COc2cccc(CCl)c2)c1
InChIInChI=1S/C14H14ClNO/c1-11-5-13(9-16-8-11)10-17-14-4-2-3-12(6-14)7-15/h2-6,8-9H,7,10H2,1H3
InChIKeyWWYDYESSLMQGNQ-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.71
Rot. Bonds4

About 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine

3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine (PubChem CID 102881690) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
PubChem CID102881690
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
SMILESCc1cncc(COc2cccc(CCl)c2)c1
InChIInChI=1S/C14H14ClNO/c1-11-5-13(9-16-8-11)10-17-14-4-2-3-12(6-14)7-15/h2-6,8-9H,7,10H2,1H3
InChIKeyWWYDYESSLMQGNQ-UHFFFAOYSA-N
XLogP3.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine?
The IUPAC name of 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine (CID 102881690) is 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine.
What is the SMILES notation for 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine?
The canonical SMILES for 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine is Cc1cncc(COc2cccc(CCl)c2)c1.
What is the InChIKey of 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine?
The InChIKey is WWYDYESSLMQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-11-5-13(9-16-8-11)10-17-14-4-2-3-12(6-14)7-15/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine?
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine has a molecular weight of 247.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine is sourced from PubChem (CID 102881690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).