4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde

C19H24N2O — CID 152511124

IUPAC4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(C=O)n2)c1
InChIInChI=1S/C19H24N2O/c1-18(2,3)13-7-8-20-16(10-13)17-11-14(19(4,5)6)9-15(12-22)21-17/h7-12H,1-6H3
InChIKeyYFNFCDXGSNKBJA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.55
Rot. Bonds2

About 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde

4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde (PubChem CID 152511124) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde
PubChem CID152511124
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(C=O)n2)c1
InChIInChI=1S/C19H24N2O/c1-18(2,3)13-7-8-20-16(10-13)17-11-14(19(4,5)6)9-15(12-22)21-17/h7-12H,1-6H3
InChIKeyYFNFCDXGSNKBJA-UHFFFAOYSA-N
XLogP4.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
CID 135247028
4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 101142232
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;gold(1+);trifluoromethanesulfonate
CID 11858840
1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
CID 135252421
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis(dioxido(dioxo)chromium);bis(oxygen(2-));bis(vanadium)
CID 53380188
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);methanol;bis(oxygen(2-));bis(vanadium(4+));disulfate
CID 139041352
ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
CID 154703036
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde (CID 152511124) is 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(C=O)n2)c1.
What is the InChIKey of 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde?
The InChIKey is YFNFCDXGSNKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-18(2,3)13-7-8-20-16(10-13)17-11-14(19(4,5)6)9-15(12-22)21-17/h7-12H,1-6H3.
What are the key properties of 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde?
4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde has a molecular weight of 296.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 152511124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).