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

C16H17Cl2NO2 — CID 43324923

IUPAC2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2ccc(Cl)cc2CCl)c1C
InChIInChI=1S/C16H17Cl2NO2/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
InChIKeyHQXBXSAGYDFXJP-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.68
Rot. Bonds5

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

2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 43324923) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID43324923
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2ccc(Cl)cc2CCl)c1C
InChIInChI=1S/C16H17Cl2NO2/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
InChIKeyHQXBXSAGYDFXJP-UHFFFAOYSA-N
XLogP4.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 107698932
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
3-chloro-4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 83108940
2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 60905899

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (CID 43324923) is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(COc2ccc(Cl)cc2CCl)c1C.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is HQXBXSAGYDFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/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-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 326.22 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 43324923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).