3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine

C17H2F10N2O2 — CID 133087465

IUPAC3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H2F10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-2-4(29(30)31)17(28-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H
InChIKeyGSDKTGIPHINAID-UHFFFAOYSA-N
MW456.20 g/mol
LogP5.71
Rot. Bonds3

About 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine

3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 133087465) has the molecular formula C17H2F10N2O2 and a molecular weight of 456.20 g/mol. Its IUPAC name is 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID133087465
Molecular FormulaC17H2F10N2O2
Molecular Weight456.20 g/mol
Exact Mass456.00
IUPAC Name3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H2F10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-2-4(29(30)31)17(28-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H
InChIKeyGSDKTGIPHINAID-UHFFFAOYSA-N
XLogP5.71
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.20
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133087472
2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
CID 133093784
2-(2,3,4,5,6-pentafluorophenyl)quinoline;2,4,6-trinitrophenol
CID 13224233
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine
CID 142402226
3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134618277
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
6-bromo-2-fluoro-3-nitropyridine
CID 119085951
5-chloro-3-(2,6-difluoro-3-nitrophenyl)-1H-1,2,4-triazole
CID 79767644
1-(2,5-difluoro-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzene
CID 118815275

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine (CID 133087465) is 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine is O=[N+]([O-])c1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is GSDKTGIPHINAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H2F10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-2-4(29(30)31)17(28-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H.
What are the key properties of 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 456.20 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 133087465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).