dipropan-2-yl pyridine-2,6-dicarboxylate

C13H17NO4 — CID 746767

IUPACdipropan-2-yl pyridine-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)OC(C)C)n1
InChIInChI=1S/C13H17NO4/c1-8(2)17-12(15)10-6-5-7-11(14-10)13(16)18-9(3)4/h5-9H,1-4H3
InChIKeyCPWRDMOUBGOUGY-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.21
Rot. Bonds4

About dipropan-2-yl pyridine-2,6-dicarboxylate

dipropan-2-yl pyridine-2,6-dicarboxylate (PubChem CID 746767) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is dipropan-2-yl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl pyridine-2,6-dicarboxylate
PubChem CID746767
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namedipropan-2-yl pyridine-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)OC(C)C)n1
InChIInChI=1S/C13H17NO4/c1-8(2)17-12(15)10-6-5-7-11(14-10)13(16)18-9(3)4/h5-9H,1-4H3
InChIKeyCPWRDMOUBGOUGY-UHFFFAOYSA-N
XLogP2.21
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl pyridine-2,6-dicarboxylate?
The IUPAC name of dipropan-2-yl pyridine-2,6-dicarboxylate (CID 746767) is dipropan-2-yl pyridine-2,6-dicarboxylate.
What is the SMILES notation for dipropan-2-yl pyridine-2,6-dicarboxylate?
The canonical SMILES for dipropan-2-yl pyridine-2,6-dicarboxylate is CC(C)OC(=O)c1cccc(C(=O)OC(C)C)n1.
What is the InChIKey of dipropan-2-yl pyridine-2,6-dicarboxylate?
The InChIKey is CPWRDMOUBGOUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(2)17-12(15)10-6-5-7-11(14-10)13(16)18-9(3)4/h5-9H,1-4H3.
What are the key properties of dipropan-2-yl pyridine-2,6-dicarboxylate?
dipropan-2-yl pyridine-2,6-dicarboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 746767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).