potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate

C9H12KNO5 — CID 23668184

IUPACpotassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate
SMILESCOC(=O)C1=C([O-])CCN(C(=O)OC)C1.[K+]
InChIInChI=1S/C9H13NO5.K/c1-14-8(12)6-5-10(9(13)15-2)4-3-7(6)11;/h11H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyDCISWTNKJMVBTO-UHFFFAOYSA-M
MW253.29 g/mol
LogP-3.75
Rot. Bonds1

About potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate

potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate (PubChem CID 23668184) has the molecular formula C9H12KNO5 and a molecular weight of 253.29 g/mol. Its IUPAC name is potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate.

Molecular Properties

Compound Namepotassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate
PubChem CID23668184
Molecular FormulaC9H12KNO5
Molecular Weight253.29 g/mol
Exact Mass253.04
IUPAC Namepotassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate
SMILESCOC(=O)C1=C([O-])CCN(C(=O)OC)C1.[K+]
InChIInChI=1S/C9H13NO5.K/c1-14-8(12)6-5-10(9(13)15-2)4-3-7(6)11;/h11H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyDCISWTNKJMVBTO-UHFFFAOYSA-M
XLogP-3.75
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-3.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate?
The IUPAC name of potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate (CID 23668184) is potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate.
What is the SMILES notation for potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate?
The canonical SMILES for potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate is COC(=O)C1=C([O-])CCN(C(=O)OC)C1.[K+].
What is the InChIKey of potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate?
The InChIKey is DCISWTNKJMVBTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO5.K/c1-14-8(12)6-5-10(9(13)15-2)4-3-7(6)11;/h11H,3-5H2,1-2H3;/q;+1/p-1.
What are the key properties of potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate?
potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate has a molecular weight of 253.29 g/mol, XLogP of -3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,5-bis(methoxycarbonyl)-3,6-dihydro-2H-pyridin-4-olate is sourced from PubChem (CID 23668184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).