2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine

C16H17ClFNO2 — CID 107698932

IUPAC2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2ccc(F)cc2CCl)c1C
InChIInChI=1S/C16H17ClFNO2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(18)6-12(15)7-17/h4-6,8H,7,9H2,1-3H3
InChIKeyDFJZXKDANODLFG-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.16
Rot. Bonds5

About 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 107698932) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID107698932
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2ccc(F)cc2CCl)c1C
InChIInChI=1S/C16H17ClFNO2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(18)6-12(15)7-17/h4-6,8H,7,9H2,1-3H3
InChIKeyDFJZXKDANODLFG-UHFFFAOYSA-N
XLogP4.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine 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-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62945698

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (CID 107698932) is 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(COc2ccc(F)cc2CCl)c1C.
What is the InChIKey of 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is DFJZXKDANODLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(18)6-12(15)7-17/h4-6,8H,7,9H2,1-3H3.
What are the key properties of 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 309.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 107698932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).