2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine

C9H9ClF3NO2 — CID 130113375

IUPAC2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C)c(CCl)n1
InChIInChI=1S/C9H9ClF3NO2/c1-5-6(4-10)14-8(15-2)3-7(5)16-9(11,12)13/h3H,4H2,1-2H3
InChIKeyAHRAGDIPSQWAQM-UHFFFAOYSA-N
MW255.62 g/mol
LogP3.04
Rot. Bonds3

About 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine

2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130113375) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130113375
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C)c(CCl)n1
InChIInChI=1S/C9H9ClF3NO2/c1-5-6(4-10)14-8(15-2)3-7(5)16-9(11,12)13/h3H,4H2,1-2H3
InChIKeyAHRAGDIPSQWAQM-UHFFFAOYSA-N
XLogP3.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)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

6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466
2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
2-[3-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094311
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine (CID 130113375) is 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine is COc1cc(OC(F)(F)F)c(C)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is AHRAGDIPSQWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-5-6(4-10)14-8(15-2)3-7(5)16-9(11,12)13/h3H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 255.62 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130113375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).