1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde

C13H10ClNO2 — CID 10308067

IUPAC1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H10ClNO2/c14-12-6-7-15(13(17)11(12)9-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyZMOBCCHASXMNCZ-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.36
Rot. Bonds3

About 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde

1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde (PubChem CID 10308067) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde
PubChem CID10308067
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H10ClNO2/c14-12-6-7-15(13(17)11(12)9-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyZMOBCCHASXMNCZ-UHFFFAOYSA-N
XLogP2.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.36
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-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde (CID 10308067) is 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde is O=Cc1c(Cl)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde?
The InChIKey is ZMOBCCHASXMNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-12-6-7-15(13(17)11(12)9-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde?
1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde has a molecular weight of 247.68 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloro-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 10308067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).