2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine

C12H7F4NO — CID 102219519

IUPAC2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2nc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H7F4NO/c1-18-7-4-2-6(3-5-7)11-9(14)8(13)10(15)12(16)17-11/h2-5H,1H3
InChIKeyMZOVVVVGHDUMCZ-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.31
Rot. Bonds2

About 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine

2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine (PubChem CID 102219519) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
PubChem CID102219519
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2nc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H7F4NO/c1-18-7-4-2-6(3-5-7)11-9(14)8(13)10(15)12(16)17-11/h2-5H,1H3
InChIKeyMZOVVVVGHDUMCZ-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane
CID 144561636
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
CID 13127265

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine (CID 102219519) is 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine is COc1ccc(-c2nc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine?
The InChIKey is MZOVVVVGHDUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c1-18-7-4-2-6(3-5-7)11-9(14)8(13)10(15)12(16)17-11/h2-5H,1H3.
What are the key properties of 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine?
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine has a molecular weight of 257.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 102219519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).