2,6-bis(3-fluorophenyl)-4-nitropyridine

C17H10F2N2O2 — CID 46313659

IUPAC2,6-bis(3-fluorophenyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2)nc(-c2cccc(F)c2)c1
InChIInChI=1S/C17H10F2N2O2/c18-13-5-1-3-11(7-13)16-9-15(21(22)23)10-17(20-16)12-4-2-6-14(19)8-12/h1-10H
InChIKeyWJPORZIQAQFJJH-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.60
Rot. Bonds3

About 2,6-bis(3-fluorophenyl)-4-nitropyridine

2,6-bis(3-fluorophenyl)-4-nitropyridine (PubChem CID 46313659) has the molecular formula C17H10F2N2O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)-4-nitropyridine.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)-4-nitropyridine
PubChem CID46313659
Molecular FormulaC17H10F2N2O2
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name2,6-bis(3-fluorophenyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2)nc(-c2cccc(F)c2)c1
InChIInChI=1S/C17H10F2N2O2/c18-13-5-1-3-11(7-13)16-9-15(21(22)23)10-17(20-16)12-4-2-6-14(19)8-12/h1-10H
InChIKeyWJPORZIQAQFJJH-UHFFFAOYSA-N
XLogP4.60
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol
CID 102179946
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
1-fluoro-3-nitrobenzene;formic acid
CID 162160799
2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1203817
CID 70927123
CID 70927123
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)-4-nitropyridine?
The IUPAC name of 2,6-bis(3-fluorophenyl)-4-nitropyridine (CID 46313659) is 2,6-bis(3-fluorophenyl)-4-nitropyridine.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)-4-nitropyridine?
The canonical SMILES for 2,6-bis(3-fluorophenyl)-4-nitropyridine is O=[N+]([O-])c1cc(-c2cccc(F)c2)nc(-c2cccc(F)c2)c1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)-4-nitropyridine?
The InChIKey is WJPORZIQAQFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O2/c18-13-5-1-3-11(7-13)16-9-15(21(22)23)10-17(20-16)12-4-2-6-14(19)8-12/h1-10H.
What are the key properties of 2,6-bis(3-fluorophenyl)-4-nitropyridine?
2,6-bis(3-fluorophenyl)-4-nitropyridine has a molecular weight of 312.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-fluorophenyl)-4-nitropyridine is sourced from PubChem (CID 46313659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).