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

C8H5F6NO2 — CID 118812562

IUPAC4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(F)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F6NO2/c1-16-3-2-15-7(11)5(4(3)6(9)10)17-8(12,13)14/h2,6H,1H3
InChIKeyBQVCABNVXREJCS-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.07
Rot. Bonds3

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

4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118812562) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118812562
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(F)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F6NO2/c1-16-3-2-15-7(11)5(4(3)6(9)10)17-8(12,13)14/h2,6H,1H3
InChIKeyBQVCABNVXREJCS-UHFFFAOYSA-N
XLogP3.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
ethyl 2-[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668665
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine (CID 118812562) is 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine is COc1cnc(F)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is BQVCABNVXREJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c1-16-3-2-15-7(11)5(4(3)6(9)10)17-8(12,13)14/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 261.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118812562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).