dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate

C13H17NO6 — CID 155657064

IUPACdimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate
SMILESCCCCOn1c(C(=O)OC)ccc(C(=O)OC)c1=O
InChIInChI=1S/C13H17NO6/c1-4-5-8-20-14-10(13(17)19-3)7-6-9(11(14)15)12(16)18-2/h6-7H,4-5,8H2,1-3H3
InChIKeyHCENBQGDQQQXGD-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.65
Rot. Bonds6

About dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate

dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate (PubChem CID 155657064) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate
PubChem CID155657064
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namedimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate
SMILESCCCCOn1c(C(=O)OC)ccc(C(=O)OC)c1=O
InChIInChI=1S/C13H17NO6/c1-4-5-8-20-14-10(13(17)19-3)7-6-9(11(14)15)12(16)18-2/h6-7H,4-5,8H2,1-3H3
InChIKeyHCENBQGDQQQXGD-UHFFFAOYSA-N
XLogP0.65
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid
CID 122458495
(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate
CID 89096080
methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
CID 19039704
methyl 2-acetyloxy-4-butoxybenzoate
CID 46841949
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
1-butoxy-6-oxopyridine-2-carbonyl chloride
CID 88864823
methyl 3,4-dibutoxy-2-hydroxybenzoate
CID 122417744
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
methyl 2-amino-3-butoxybenzoate
CID 61039982
methyl 5-(bromomethyl)-1-methyl-6-oxopyridine-2-carboxylate
CID 171784129
1-O-methyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6424480

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate (CID 155657064) is dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate is CCCCOn1c(C(=O)OC)ccc(C(=O)OC)c1=O.
What is the InChIKey of dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate?
The InChIKey is HCENBQGDQQQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-4-5-8-20-14-10(13(17)19-3)7-6-9(11(14)15)12(16)18-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate?
dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate has a molecular weight of 283.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate is sourced from PubChem (CID 155657064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).