2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine

C15H15Cl2NO3 — CID 103173382

IUPAC2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2c(Cl)cccc2CCl)c1OC
InChIInChI=1S/C15H15Cl2NO3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-16)4-3-5-11(14)17/h3-7H,8-9H2,1-2H3
InChIKeyGIKYVRXLXFWLSQ-UHFFFAOYSA-N
MW328.19 g/mol
LogP4.07
Rot. Bonds6

About 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine

2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine (PubChem CID 103173382) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
PubChem CID103173382
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2c(Cl)cccc2CCl)c1OC
InChIInChI=1S/C15H15Cl2NO3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-16)4-3-5-11(14)17/h3-7H,8-9H2,1-2H3
InChIKeyGIKYVRXLXFWLSQ-UHFFFAOYSA-N
XLogP4.07
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine 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-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103478939
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
CID 103172005
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine (CID 103173382) is 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine is COc1ccnc(COc2c(Cl)cccc2CCl)c1OC.
What is the InChIKey of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine?
The InChIKey is GIKYVRXLXFWLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-16)4-3-5-11(14)17/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine?
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine has a molecular weight of 328.19 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103173382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).