2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine

C9H10ClF2NO2 — CID 118843665

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
SMILESCOc1cc(OC)c(C(F)F)nc1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-3-7(15-2)8(9(11)12)13-5(6)4-10/h3,9H,4H2,1-2H3
InChIKeyGLGAPXYBWFFOQD-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.78
Rot. Bonds4

About 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine

2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine (PubChem CID 118843665) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
PubChem CID118843665
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
SMILESCOc1cc(OC)c(C(F)F)nc1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-3-7(15-2)8(9(11)12)13-5(6)4-10/h3,9H,4H2,1-2H3
InChIKeyGLGAPXYBWFFOQD-UHFFFAOYSA-N
XLogP2.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine 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-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
6-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 118804374
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133099778
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
6-(difluoromethyl)-2,5-dimethoxypyridin-3-amine
CID 130100784
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
6-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130094665

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine (CID 118843665) is 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine is COc1cc(OC)c(C(F)F)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine?
The InChIKey is GLGAPXYBWFFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-14-6-3-7(15-2)8(9(11)12)13-5(6)4-10/h3,9H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine?
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine has a molecular weight of 237.63 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine is sourced from PubChem (CID 118843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).