methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate

C17H19NO4 — CID 54686065

IUPACmethyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H19NO4/c1-17(2,3)13-10-12(19)14(16(21)22-4)15(20)18(13)11-8-6-5-7-9-11/h5-10,19H,1-4H3
InChIKeyAHHBCCSJKYJOLS-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.63
Rot. Bonds2

About methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate

methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate (PubChem CID 54686065) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate
PubChem CID54686065
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H19NO4/c1-17(2,3)13-10-12(19)14(16(21)22-4)15(20)18(13)11-8-6-5-7-9-11/h5-10,19H,1-4H3
InChIKeyAHHBCCSJKYJOLS-UHFFFAOYSA-N
XLogP2.63
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate (CID 54686065) is methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate is COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate?
The InChIKey is AHHBCCSJKYJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(2,3)13-10-12(19)14(16(21)22-4)15(20)18(13)11-8-6-5-7-9-11/h5-10,19H,1-4H3.
What are the key properties of methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate?
methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenylpyridine-3-carboxylate is sourced from PubChem (CID 54686065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).