6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde

C12H8FNO2 — CID 82519690

IUPAC6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(16)14-11/h1-7H,(H,14,16)
InChIKeyDTAFWVZJGUPNTJ-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.99
Rot. Bonds2

About 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 82519690) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID82519690
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(16)14-11/h1-7H,(H,14,16)
InChIKeyDTAFWVZJGUPNTJ-UHFFFAOYSA-N
XLogP1.99
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82520973
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
CID 82521365
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
CID 82519671
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
5-(4-fluorophenyl)-1H-pyrrol-2-amine
CID 117223095
2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 10261192
2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole
CID 167028653
3-(4-fluorophenyl)-4-formylbenzonitrile
CID 102284559
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
4-fluoro-2-methylbenzaldehyde
CID 2783217
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 82519690) is 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is DTAFWVZJGUPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(16)14-11/h1-7H,(H,14,16).
What are the key properties of 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 217.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 82519690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).