dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate

C13H17NO5 — CID 22923882

IUPACdimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OC)c(OCC(C)C)c1
InChIInChI=1S/C13H17NO5/c1-8(2)7-19-10-5-9(12(15)17-3)6-14-11(10)13(16)18-4/h5-6,8H,7H2,1-4H3
InChIKeyVJLQXAYOICPCHD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.69
Rot. Bonds5

About dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate

dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate (PubChem CID 22923882) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
PubChem CID22923882
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namedimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OC)c(OCC(C)C)c1
InChIInChI=1S/C13H17NO5/c1-8(2)7-19-10-5-9(12(15)17-3)6-14-11(10)13(16)18-4/h5-6,8H,7H2,1-4H3
InChIKeyVJLQXAYOICPCHD-UHFFFAOYSA-N
XLogP1.69
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
CID 19960366
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate
CID 67484700
ethane;methyl 6-[N-ethyl-2-methyl-5-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylate
CID 145321901
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
methyl 4-[2-methyl-4-(2-methylpropoxy)-5-propan-2-ylbenzoyl]benzoate
CID 154656104
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate (CID 22923882) is dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate is COC(=O)c1cnc(C(=O)OC)c(OCC(C)C)c1.
What is the InChIKey of dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate?
The InChIKey is VJLQXAYOICPCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(2)7-19-10-5-9(12(15)17-3)6-14-11(10)13(16)18-4/h5-6,8H,7H2,1-4H3.
What are the key properties of dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate?
dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate is sourced from PubChem (CID 22923882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).