4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol

C23H15FN2O3 — CID 135409815

IUPAC4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H15FN2O3/c24-19-7-1-16(2-8-19)22-13-18(15-3-9-20(10-4-15)26(28)29)14-23(25-22)17-5-11-21(27)12-6-17/h1-14,27H
InChIKeyBXVTXWVQZIFODY-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.84
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol

4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol (PubChem CID 135409815) has the molecular formula C23H15FN2O3 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
PubChem CID135409815
Molecular FormulaC23H15FN2O3
Molecular Weight386.38 g/mol
Exact Mass386.11
IUPAC Name4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H15FN2O3/c24-19-7-1-16(2-8-19)22-13-18(15-3-9-20(10-4-15)26(28)29)14-23(25-22)17-5-11-21(27)12-6-17/h1-14,27H
InChIKeyBXVTXWVQZIFODY-UHFFFAOYSA-N
XLogP5.84
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
calcium;hydride;4-nitrophenol
CID 173414286
4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
CID 70954593
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol (CID 135409815) is 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol?
The InChIKey is BXVTXWVQZIFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O3/c24-19-7-1-16(2-8-19)22-13-18(15-3-9-20(10-4-15)26(28)29)14-23(25-22)17-5-11-21(27)12-6-17/h1-14,27H.
What are the key properties of 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol?
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol has a molecular weight of 386.38 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 135409815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).