1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde

C13H10FNO2 — CID 143672150

IUPAC1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C=O
InChIInChI=1S/C13H10FNO2/c1-9-6-7-15(13(17)12(9)8-16)11-4-2-10(14)3-5-11/h2-8H,1H3
InChIKeyLVFVKVHXVQRQEC-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde

1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 143672150) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID143672150
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C=O
InChIInChI=1S/C13H10FNO2/c1-9-6-7-15(13(17)12(9)8-16)11-4-2-10(14)3-5-11/h2-8H,1H3
InChIKeyLVFVKVHXVQRQEC-UHFFFAOYSA-N
XLogP2.10
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde (CID 143672150) is 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is LVFVKVHXVQRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-9-6-7-15(13(17)12(9)8-16)11-4-2-10(14)3-5-11/h2-8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde?
1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 231.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 143672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).