4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine

C8H8ClF2NO2 — CID 118811368

IUPAC4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
SMILESCOc1cc(Cl)c(OC)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO2/c1-13-5-3-4(9)7(14-2)6(12-5)8(10)11/h3,8H,1-2H3
InChIKeyHEPNGIMLPYQYKU-UHFFFAOYSA-N
MW223.61 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine

4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine (PubChem CID 118811368) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
PubChem CID118811368
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
SMILESCOc1cc(Cl)c(OC)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO2/c1-13-5-3-4(9)7(14-2)6(12-5)8(10)11/h3,8H,1-2H3
InChIKeyHEPNGIMLPYQYKU-UHFFFAOYSA-N
XLogP2.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine (CID 118811368) is 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine is COc1cc(Cl)c(OC)c(C(F)F)n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine?
The InChIKey is HEPNGIMLPYQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c1-13-5-3-4(9)7(14-2)6(12-5)8(10)11/h3,8H,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine?
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine has a molecular weight of 223.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine is sourced from PubChem (CID 118811368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).