bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate

C19H15N3O4 — CID 3240373

IUPACbis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate
SMILESCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1
InChIInChI=1S/C19H15N3O4/c1-12-6-8-16(20-10-12)25-18(23)14-4-3-5-15(22-14)19(24)26-17-9-7-13(2)11-21-17/h3-11H,1-2H3
InChIKeyJSUVUBSWOGXRIT-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.93
Rot. Bonds4

About bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate

bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate (PubChem CID 3240373) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate
PubChem CID3240373
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Namebis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate
SMILESCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1
InChIInChI=1S/C19H15N3O4/c1-12-6-8-16(20-10-12)25-18(23)14-4-3-5-15(22-14)19(24)26-17-9-7-13(2)11-21-17/h3-11H,1-2H3
InChIKeyJSUVUBSWOGXRIT-UHFFFAOYSA-N
XLogP2.93
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate?
The IUPAC name of bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate (CID 3240373) is bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate?
The canonical SMILES for bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate is Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1.
What is the InChIKey of bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate?
The InChIKey is JSUVUBSWOGXRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-12-6-8-16(20-10-12)25-18(23)14-4-3-5-15(22-14)19(24)26-17-9-7-13(2)11-21-17/h3-11H,1-2H3.
What are the key properties of bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate?
bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-pyridinyl) pyridine-2,6-dicarboxylate is sourced from PubChem (CID 3240373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).