1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium

C10H13NO3Pd — CID 167504371

IUPAC1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium
SMILESO=c1ccn(C2CCC(CO)O2)cc1.[Pd]
InChIInChI=1S/C10H13NO3.Pd/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11;/h3-6,9-10,12H,1-2,7H2;
InChIKeyJXGHSXVLQOPQTE-UHFFFAOYSA-N
MW301.64 g/mol
LogP0.52
Rot. Bonds2

About 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium

1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium (PubChem CID 167504371) has the molecular formula C10H13NO3Pd and a molecular weight of 301.64 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium
PubChem CID167504371
Molecular FormulaC10H13NO3Pd
Molecular Weight301.64 g/mol
Exact Mass300.99
IUPAC Name1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium
SMILESO=c1ccn(C2CCC(CO)O2)cc1.[Pd]
InChIInChI=1S/C10H13NO3.Pd/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11;/h3-6,9-10,12H,1-2,7H2;
InChIKeyJXGHSXVLQOPQTE-UHFFFAOYSA-N
XLogP0.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.64
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 46876104
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 167508848
1-(2-Deoxypentofuranosyl)pyridin-4(1h)-one
CID 286491
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14427742
(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enal
CID 122679403
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851334
Ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851339
1-[5-(Methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340
1-[5-(Hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851362
1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851365

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium?
The IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium (CID 167504371) is 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium.
What is the SMILES notation for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium?
The canonical SMILES for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium is O=c1ccn(C2CCC(CO)O2)cc1.[Pd].
What is the InChIKey of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium?
The InChIKey is JXGHSXVLQOPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.Pd/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11;/h3-6,9-10,12H,1-2,7H2;.
What are the key properties of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium?
1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium has a molecular weight of 301.64 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;palladium is sourced from PubChem (CID 167504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).