4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol

C19H26N2O3 — CID 169227317

IUPAC4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol
SMILESCOc1cc(C(C)(C)C)c(O)c(-c2nccc(C(C)(C)C)c2O)n1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)11-8-9-20-14(16(11)22)15-17(23)12(19(4,5)6)10-13(21-15)24-7/h8-10,22-23H,1-7H3
InChIKeyNZFLFWXWZHABNP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.16
Rot. Bonds2

About 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol

4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol (PubChem CID 169227317) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol
PubChem CID169227317
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol
SMILESCOc1cc(C(C)(C)C)c(O)c(-c2nccc(C(C)(C)C)c2O)n1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)11-8-9-20-14(16(11)22)15-17(23)12(19(4,5)6)10-13(21-15)24-7/h8-10,22-23H,1-7H3
InChIKeyNZFLFWXWZHABNP-UHFFFAOYSA-N
XLogP4.16
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol (CID 169227317) is 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol is COc1cc(C(C)(C)C)c(O)c(-c2nccc(C(C)(C)C)c2O)n1.
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol?
The InChIKey is NZFLFWXWZHABNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)11-8-9-20-14(16(11)22)15-17(23)12(19(4,5)6)10-13(21-15)24-7/h8-10,22-23H,1-7H3.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol?
4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol has a molecular weight of 330.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol is sourced from PubChem (CID 169227317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).