dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate

C16H14N2O6 — CID 170564942

IUPACdimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H14N2O6/c1-22-14(19)9-7-12(18-13(8-9)16(21)24-3)10-5-4-6-11(17-10)15(20)23-2/h4-8H,1-3H3
InChIKeyPKRLRQJPRDRELF-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.50
Rot. Bonds4

About dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate

dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate (PubChem CID 170564942) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate
PubChem CID170564942
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Namedimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H14N2O6/c1-22-14(19)9-7-12(18-13(8-9)16(21)24-3)10-5-4-6-11(17-10)15(20)23-2/h4-8H,1-3H3
InChIKeyPKRLRQJPRDRELF-UHFFFAOYSA-N
XLogP1.50
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
Methyl 6-(7-amino-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891338
Methyl 6-(6-(7-Phenylheptanoyl)-pyridazin-3-yl)-picolinate
CID 24950528
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
2,4-Dimethyl 2,4-quinolinedicarboxylate
CID 604597
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
CID 91703257
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate
CID 66776557
Methyl 6-(7-bromo-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891335
Methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 15458375
6-(4-Carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 44478149

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate?
The IUPAC name of dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate (CID 170564942) is dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)nc(-c2cccc(C(=O)OC)n2)c1.
What is the InChIKey of dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate?
The InChIKey is PKRLRQJPRDRELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-22-14(19)9-7-12(18-13(8-9)16(21)24-3)10-5-4-6-11(17-10)15(20)23-2/h4-8H,1-3H3.
What are the key properties of dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate?
dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate has a molecular weight of 330.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2,4-dicarboxylate is sourced from PubChem (CID 170564942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).