4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde

C12H4F5NO — CID 118812839

IUPAC4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F5NO/c13-8-7(6-1-2-18-3-5(6)4-19)9(14)11(16)12(17)10(8)15/h1-4H
InChIKeyMPLRPWDEILDFLT-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.26
Rot. Bonds2

About 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde

4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde (PubChem CID 118812839) has the molecular formula C12H4F5NO and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
PubChem CID118812839
Molecular FormulaC12H4F5NO
Molecular Weight273.16 g/mol
Exact Mass273.02
IUPAC Name4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F5NO/c13-8-7(6-1-2-18-3-5(6)4-19)9(14)11(16)12(17)10(8)15/h1-4H
InChIKeyMPLRPWDEILDFLT-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde (CID 118812839) is 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde is O=Cc1cnccc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is MPLRPWDEILDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F5NO/c13-8-7(6-1-2-18-3-5(6)4-19)9(14)11(16)12(17)10(8)15/h1-4H.
What are the key properties of 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde?
4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 273.16 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118812839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).