2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine

C15H16ClNO3 — CID 43516782

IUPAC2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCc1ccccn1
InChIInChI=1S/C15H16ClNO3/c1-18-13-7-11(9-16)8-14(19-2)15(13)20-10-12-5-3-4-6-17-12/h3-8H,9-10H2,1-2H3
InChIKeyNSQFERDUDOMNRN-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.42
Rot. Bonds6

About 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine

2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine (PubChem CID 43516782) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
PubChem CID43516782
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCc1ccccn1
InChIInChI=1S/C15H16ClNO3/c1-18-13-7-11(9-16)8-14(19-2)15(13)20-10-12-5-3-4-6-17-12/h3-8H,9-10H2,1-2H3
InChIKeyNSQFERDUDOMNRN-UHFFFAOYSA-N
XLogP3.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine 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

2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
CID 62700324
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
CID 43516795
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine (CID 43516782) is 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine is COc1cc(CCl)cc(OC)c1OCc1ccccn1.
What is the InChIKey of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine?
The InChIKey is NSQFERDUDOMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-18-13-7-11(9-16)8-14(19-2)15(13)20-10-12-5-3-4-6-17-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine?
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine has a molecular weight of 293.75 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 43516782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).