6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one

C18H11FN2O2 — CID 123605385

IUPAC6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one
SMILES[C-]#[N+]c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H11FN2O2/c1-20-14-8-4-11(5-9-14)15-10-16(22)18(23)21-17(15)12-2-6-13(19)7-3-12/h2-10,22H,(H,21,23)
InChIKeyMJAQQEQVBJVWKA-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.10
Rot. Bonds2

About 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one

6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one (PubChem CID 123605385) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one
PubChem CID123605385
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one
SMILES[C-]#[N+]c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H11FN2O2/c1-20-14-8-4-11(5-9-14)15-10-16(22)18(23)21-17(15)12-2-6-13(19)7-3-12/h2-10,22H,(H,21,23)
InChIKeyMJAQQEQVBJVWKA-UHFFFAOYSA-N
XLogP4.10
TPSA57.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid
CID 138105966
N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide
CID 144589656
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
N-[4-[2-(4-formamidophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]phenyl]formamide
CID 118316448
4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol
CID 22899365
5-ethyl-6-(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 144545564
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591
1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 163883531
5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608358
2-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid;2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 158576991
3-(4-fluorophenyl)-5-iodo-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 11743998
2,7-bis(2,4-difluorophenyl)-3-(4-isocyanophenyl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 88591796

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one (CID 123605385) is 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one is [C-]#[N+]c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one?
The InChIKey is MJAQQEQVBJVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c1-20-14-8-4-11(5-9-14)15-10-16(22)18(23)21-17(15)12-2-6-13(19)7-3-12/h2-10,22H,(H,21,23).
What are the key properties of 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one?
6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one has a molecular weight of 306.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 123605385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).