dimethyl pyridine-2,6-dicarboximidate

C9H11N3O2 — CID 13047094

IUPACdimethyl pyridine-2,6-dicarboximidate
SMILES[H]/N=C(\OC)c1cccc(/C(=N/[H])OC)n1
InChIInChI=1S/C9H11N3O2/c1-13-8(10)6-4-3-5-7(12-6)9(11)14-2/h3-5,10-11H,1-2H3/b10-8-,11-9-
InChIKeyKTYMELDRMZXNRH-WGEIWTTOSA-N
MW193.21 g/mol
LogP1.03
Rot. Bonds2

About dimethyl pyridine-2,6-dicarboximidate

dimethyl pyridine-2,6-dicarboximidate (PubChem CID 13047094) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is dimethyl pyridine-2,6-dicarboximidate.

Molecular Properties

Compound Namedimethyl pyridine-2,6-dicarboximidate
PubChem CID13047094
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namedimethyl pyridine-2,6-dicarboximidate
SMILES[H]/N=C(\OC)c1cccc(/C(=N/[H])OC)n1
InChIInChI=1S/C9H11N3O2/c1-13-8(10)6-4-3-5-7(12-6)9(11)14-2/h3-5,10-11H,1-2H3/b10-8-,11-9-
InChIKeyKTYMELDRMZXNRH-WGEIWTTOSA-N
XLogP1.03
TPSA79.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl pyridine-2,6-dicarboximidate?
The IUPAC name of dimethyl pyridine-2,6-dicarboximidate (CID 13047094) is dimethyl pyridine-2,6-dicarboximidate.
What is the SMILES notation for dimethyl pyridine-2,6-dicarboximidate?
The canonical SMILES for dimethyl pyridine-2,6-dicarboximidate is [H]/N=C(\OC)c1cccc(/C(=N/[H])OC)n1.
What is the InChIKey of dimethyl pyridine-2,6-dicarboximidate?
The InChIKey is KTYMELDRMZXNRH-WGEIWTTOSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-13-8(10)6-4-3-5-7(12-6)9(11)14-2/h3-5,10-11H,1-2H3/b10-8-,11-9-.
What are the key properties of dimethyl pyridine-2,6-dicarboximidate?
dimethyl pyridine-2,6-dicarboximidate has a molecular weight of 193.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyridine-2,6-dicarboximidate is sourced from PubChem (CID 13047094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).