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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Related Compounds

[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 2312658
[4-(2,2-Dicyanoethenyl)phenyl] pyridine-2-carboxylate
CID 2312290
[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 6521139
(4-Methoxycarbonylphenyl) pyridine-2-carboxylate
CID 2677992
Pyridin-2-yl(4-(3-(pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59374257
Pyridine-2,6-dicarboxylic acid di-p-tolyl ester
CID 864874
[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 2312307
2-(Furan-2-yl)-4-pyridin-3-yl-6-pyridin-4-ylpyridine
CID 44423807
Ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
2-Pyridinecarboxylic acid, phenyl ester
CID 185597
Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)
CID 48671
4H-Pyrano(3,2-b)pyridin-4-one, 2-(3-pyridinyl)-
CID 3073326

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).