2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine

C15H16ClNO2 — CID 112650689

IUPAC2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
SMILESCOc1ccc(CCl)cc1OCc1ncccc1C
InChIInChI=1S/C15H16ClNO2/c1-11-4-3-7-17-13(11)10-19-15-8-12(9-16)5-6-14(15)18-2/h3-8H,9-10H2,1-2H3
InChIKeyLPTWAUQASXZCOK-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.72
Rot. Bonds5

About 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine

2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine (PubChem CID 112650689) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
PubChem CID112650689
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
SMILESCOc1ccc(CCl)cc1OCc1ncccc1C
InChIInChI=1S/C15H16ClNO2/c1-11-4-3-7-17-13(11)10-19-15-8-12(9-16)5-6-14(15)18-2/h3-8H,9-10H2,1-2H3
InChIKeyLPTWAUQASXZCOK-UHFFFAOYSA-N
XLogP3.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.72
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

1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305644
2-[[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]methyl]-3-methylpyridine
CID 115982307
2-[[4-(4-chlorobut-1-ynyl)-2-methylphenoxy]methyl]-3-methylpyridine
CID 115982308
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 28973814
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine?
The IUPAC name of 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine (CID 112650689) is 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine is COc1ccc(CCl)cc1OCc1ncccc1C.
What is the InChIKey of 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine?
The InChIKey is LPTWAUQASXZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11-4-3-7-17-13(11)10-19-15-8-12(9-16)5-6-14(15)18-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine?
2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine has a molecular weight of 277.75 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine is sourced from PubChem (CID 112650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).