5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde

C14H10BrF2NO2 — CID 151827830

IUPAC5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
SMILESCCn1c(-c2c(F)cccc2F)c(C=O)cc(Br)c1=O
InChIInChI=1S/C14H10BrF2NO2/c1-2-18-13(8(7-19)6-9(15)14(18)20)12-10(16)4-3-5-11(12)17/h3-7H,2H2,1H3
InChIKeySDZYNPOBYFUOQJ-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.39
Rot. Bonds3

About 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde

5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde (PubChem CID 151827830) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
PubChem CID151827830
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
SMILESCCn1c(-c2c(F)cccc2F)c(C=O)cc(Br)c1=O
InChIInChI=1S/C14H10BrF2NO2/c1-2-18-13(8(7-19)6-9(15)14(18)20)12-10(16)4-3-5-11(12)17/h3-7H,2H2,1H3
InChIKeySDZYNPOBYFUOQJ-UHFFFAOYSA-N
XLogP3.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.39
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 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde (CID 151827830) is 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde is CCn1c(-c2c(F)cccc2F)c(C=O)cc(Br)c1=O.
What is the InChIKey of 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde?
The InChIKey is SDZYNPOBYFUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-2-18-13(8(7-19)6-9(15)14(18)20)12-10(16)4-3-5-11(12)17/h3-7H,2H2,1H3.
What are the key properties of 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde?
5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde has a molecular weight of 342.14 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 151827830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).