3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde

C18H9F4NO — CID 133093641

IUPAC3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(-c2cccc(F)c2F)cncc1-c1cccc(F)c1F
InChIInChI=1S/C18H9F4NO/c19-15-5-1-3-10(17(15)21)12-7-23-8-13(14(12)9-24)11-4-2-6-16(20)18(11)22/h1-9H
InChIKeyUWCQBNYXWUVHRM-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.78
Rot. Bonds3

About 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde

3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde (PubChem CID 133093641) has the molecular formula C18H9F4NO and a molecular weight of 331.27 g/mol. Its IUPAC name is 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
PubChem CID133093641
Molecular FormulaC18H9F4NO
Molecular Weight331.27 g/mol
Exact Mass331.06
IUPAC Name3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(-c2cccc(F)c2F)cncc1-c1cccc(F)c1F
InChIInChI=1S/C18H9F4NO/c19-15-5-1-3-10(17(15)21)12-7-23-8-13(14(12)9-24)11-4-2-6-16(20)18(11)22/h1-9H
InChIKeyUWCQBNYXWUVHRM-UHFFFAOYSA-N
XLogP4.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.78
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 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde (CID 133093641) is 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde is O=Cc1c(-c2cccc(F)c2F)cncc1-c1cccc(F)c1F.
What is the InChIKey of 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is UWCQBNYXWUVHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4NO/c19-15-5-1-3-10(17(15)21)12-7-23-8-13(14(12)9-24)11-4-2-6-16(20)18(11)22/h1-9H.
What are the key properties of 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde?
3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde has a molecular weight of 331.27 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133093641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).