3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine

C15H16ClNO — CID 61267878

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccccc2C)n1
InChIInChI=1S/C15H16ClNO/c1-10-6-4-5-7-14(10)18-15-13(9-16)11(2)8-12(3)17-15/h4-8H,9H2,1-3H3
InChIKeyFSRYJPCWKUMEDO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.54
Rot. Bonds3

About 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine (PubChem CID 61267878) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
PubChem CID61267878
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccccc2C)n1
InChIInChI=1S/C15H16ClNO/c1-10-6-4-5-7-14(10)18-15-13(9-16)11(2)8-12(3)17-15/h4-8H,9H2,1-3H3
InChIKeyFSRYJPCWKUMEDO-UHFFFAOYSA-N
XLogP4.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)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

3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
CID 79406784
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
[2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]oxy]phenyl]methanol
CID 63653421
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79678939
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054
[2-(2,6-dimethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61255443
[2,6-dimethyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 81050871

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine (CID 61267878) is 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine is Cc1cc(C)c(CCl)c(Oc2ccccc2C)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine?
The InChIKey is FSRYJPCWKUMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-4-5-7-14(10)18-15-13(9-16)11(2)8-12(3)17-15/h4-8H,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine is sourced from PubChem (CID 61267878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).