5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde

C15H12ClF2NO — CID 146397202

IUPAC5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde
SMILESC=C1C(Cl)=CC(C=O)=C(c2c(F)cccc2F)N1CC
InChIInChI=1S/C15H12ClF2NO/c1-3-19-9(2)11(16)7-10(8-20)15(19)14-12(17)5-4-6-13(14)18/h4-8H,2-3H2,1H3
InChIKeyAIIIHVVIQFZYOD-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.85
Rot. Bonds3

About 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde

5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde (PubChem CID 146397202) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde
PubChem CID146397202
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde
SMILESC=C1C(Cl)=CC(C=O)=C(c2c(F)cccc2F)N1CC
InChIInChI=1S/C15H12ClF2NO/c1-3-19-9(2)11(16)7-10(8-20)15(19)14-12(17)5-4-6-13(14)18/h4-8H,2-3H2,1H3
InChIKeyAIIIHVVIQFZYOD-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde (CID 146397202) is 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde is C=C1C(Cl)=CC(C=O)=C(c2c(F)cccc2F)N1CC.
What is the InChIKey of 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde?
The InChIKey is AIIIHVVIQFZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-3-19-9(2)11(16)7-10(8-20)15(19)14-12(17)5-4-6-13(14)18/h4-8H,2-3H2,1H3.
What are the key properties of 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde?
5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde has a molecular weight of 295.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-methylidenepyridine-3-carbaldehyde is sourced from PubChem (CID 146397202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).