4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H13FN2O — CID 168585191

IUPAC4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccc3)c(F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H13FN2O/c1-12-9-16(17(11-21)19(23)22-12)14-7-8-15(18(20)10-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23)
InChIKeyNAAVTVWHSBDYOS-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.03
Rot. Bonds2

About 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585191) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585191
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccc3)c(F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H13FN2O/c1-12-9-16(17(11-21)19(23)22-12)14-7-8-15(18(20)10-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23)
InChIKeyNAAVTVWHSBDYOS-UHFFFAOYSA-N
XLogP4.03
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585767
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168584768

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585191) is 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3ccccc3)c(F)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NAAVTVWHSBDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c1-12-9-16(17(11-21)19(23)22-12)14-7-8-15(18(20)10-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23).
What are the key properties of 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 304.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).