2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde

C20H26N2O — CID 135247028

IUPAC2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CC=O)n2)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)14-7-9-21-17(12-14)18-13-15(20(4,5)6)11-16(22-18)8-10-23/h7,9-13H,8H2,1-6H3
InChIKeyMZFVIIIHRQJZPT-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.48
Rot. Bonds3

About 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde

2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde (PubChem CID 135247028) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
PubChem CID135247028
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CC=O)n2)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)14-7-9-21-17(12-14)18-13-15(20(4,5)6)11-16(22-18)8-10-23/h7,9-13H,8H2,1-6H3
InChIKeyMZFVIIIHRQJZPT-UHFFFAOYSA-N
XLogP4.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.48
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 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde?
The IUPAC name of 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde (CID 135247028) is 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CC=O)n2)c1.
What is the InChIKey of 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde?
The InChIKey is MZFVIIIHRQJZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-19(2,3)14-7-9-21-17(12-14)18-13-15(20(4,5)6)11-16(22-18)8-10-23/h7,9-13H,8H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde?
2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde has a molecular weight of 310.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 135247028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).