1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine

C13H13FN2O2 — CID 143678321

IUPAC1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine
SMILESCN.O=Cc1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H8FNO2.CH5N/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-15)12(14)16;1-2/h1-8H;2H2,1H3
InChIKeyPJPNWMCAMGZXFD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.36
Rot. Bonds2

About 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine

1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine (PubChem CID 143678321) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine
PubChem CID143678321
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine
SMILESCN.O=Cc1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H8FNO2.CH5N/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-15)12(14)16;1-2/h1-8H;2H2,1H3
InChIKeyPJPNWMCAMGZXFD-UHFFFAOYSA-N
XLogP1.36
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
CID 143672150
2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde
CID 96625453
1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081527
1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
CID 25231976
1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
CID 158427364
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
CID 96602655
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
2-(3-formyl-2-oxo-1-pyridinyl)acetamide
CID 82409228
1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde
CID 87481318
1-(4-methylsulfanylphenyl)pyrrole-2-carbaldehyde
CID 4254176

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine (CID 143678321) is 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine is CN.O=Cc1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine?
The InChIKey is PJPNWMCAMGZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2.CH5N/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-15)12(14)16;1-2/h1-8H;2H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine?
1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine has a molecular weight of 248.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine is sourced from PubChem (CID 143678321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).