4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine

C8H5F6NO2 — CID 118801347

IUPAC4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C8H5F6NO2/c1-16-4-2-3(6(9)10)5(7(11)15-4)17-8(12,13)14/h2,6H,1H3
InChIKeyUFQDHWHGAKBECR-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.07
Rot. Bonds3

About 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine

4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118801347) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118801347
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C8H5F6NO2/c1-16-4-2-3(6(9)10)5(7(11)15-4)17-8(12,13)14/h2,6H,1H3
InChIKeyUFQDHWHGAKBECR-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)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
CID 130099672
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
4-(difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine
CID 118840685
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine (CID 118801347) is 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine is COc1cc(C(F)F)c(OC(F)(F)F)c(F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is UFQDHWHGAKBECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c1-16-4-2-3(6(9)10)5(7(11)15-4)17-8(12,13)14/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-2-fluoro-6-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-6-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118801347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).