4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C25H17FN2O2 — CID 139059928

IUPAC4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(F)c(Oc4ccccc4)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C25H17FN2O2/c1-16-7-9-17(10-8-16)23-14-20(21(15-27)25(29)28-23)18-11-12-22(26)24(13-18)30-19-5-3-2-4-6-19/h2-14H,1H3,(H,28,29)
InChIKeyBHADEXGXNWRSPU-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.82
Rot. Bonds4

About 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 139059928) has the molecular formula C25H17FN2O2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID139059928
Molecular FormulaC25H17FN2O2
Molecular Weight396.42 g/mol
Exact Mass396.13
IUPAC Name4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(F)c(Oc4ccccc4)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C25H17FN2O2/c1-16-7-9-17(10-8-16)23-14-20(21(15-27)25(29)28-23)18-11-12-22(26)24(13-18)30-19-5-3-2-4-6-19/h2-14H,1H3,(H,28,29)
InChIKeyBHADEXGXNWRSPU-UHFFFAOYSA-N
XLogP5.82
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 139059928) is 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(F)c(Oc4ccccc4)c3)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BHADEXGXNWRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O2/c1-16-7-9-17(10-8-16)23-14-20(21(15-27)25(29)28-23)18-11-12-22(26)24(13-18)30-19-5-3-2-4-6-19/h2-14H,1H3,(H,28,29).
What are the key properties of 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 396.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139059928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).