4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine

C8H5ClF5NO2 — CID 118822429

IUPAC4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(C(F)F)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF5NO2/c1-16-3-2-15-5(7(10)11)6(4(3)9)17-8(12,13)14/h2,7H,1H3
InChIKeyIZWFOOVUCVGLJN-UHFFFAOYSA-N
MW277.58 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine

4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118822429) has the molecular formula C8H5ClF5NO2 and a molecular weight of 277.58 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118822429
Molecular FormulaC8H5ClF5NO2
Molecular Weight277.58 g/mol
Exact Mass276.99
IUPAC Name4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(C(F)F)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF5NO2/c1-16-3-2-15-5(7(10)11)6(4(3)9)17-8(12,13)14/h2,7H,1H3
InChIKeyIZWFOOVUCVGLJN-UHFFFAOYSA-N
XLogP3.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 118826226
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine (CID 118822429) is 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine is COc1cnc(C(F)F)c(OC(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is IZWFOOVUCVGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO2/c1-16-3-2-15-5(7(10)11)6(4(3)9)17-8(12,13)14/h2,7H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine?
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 277.58 g/mol, XLogP of 3.58, 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)-5-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118822429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).