3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine

C15H14ClF2NO — CID 103175217

IUPAC3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3
InChIKeyYJNSSNSGOSXZIO-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.76
Rot. Bonds4

About 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine

3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine (PubChem CID 103175217) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
PubChem CID103175217
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3
InChIKeyYJNSSNSGOSXZIO-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine (CID 103175217) is 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F.
What is the InChIKey of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The InChIKey is YJNSSNSGOSXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine has a molecular weight of 297.73 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103175217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).