2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde

C14H10F3NO2 — CID 87411775

IUPAC2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde
SMILESCCOc1cc(C=O)c(-c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H10F3NO2/c1-2-20-12-5-8(7-19)10(6-18-12)9-3-4-11(15)14(17)13(9)16/h3-7H,2H2,1H3
InChIKeyWNIGDLTWVJTGAW-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.38
Rot. Bonds4

About 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde

2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde (PubChem CID 87411775) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde
PubChem CID87411775
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde
SMILESCCOc1cc(C=O)c(-c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H10F3NO2/c1-2-20-12-5-8(7-19)10(6-18-12)9-3-4-11(15)14(17)13(9)16/h3-7H,2H2,1H3
InChIKeyWNIGDLTWVJTGAW-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde (CID 87411775) is 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde is CCOc1cc(C=O)c(-c2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is WNIGDLTWVJTGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-2-20-12-5-8(7-19)10(6-18-12)9-3-4-11(15)14(17)13(9)16/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde?
2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde has a molecular weight of 281.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 87411775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).