ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium

C14H17N2OY- — CID 177234828

IUPACethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
SMILESCC.Cc1[c-]cc(Cn2ccccc2=O)nc1.[Y]
InChIInChI=1S/C12H11N2O.C2H6.Y/c1-10-5-6-11(13-8-10)9-14-7-3-2-4-12(14)15;1-2;/h2-4,6-8H,9H2,1H3;1-2H3;/q-1;;
InChIKeySMVOCARLBZMKME-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.42
Rot. Bonds2

About ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium

ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium (PubChem CID 177234828) has the molecular formula C14H17N2OY- and a molecular weight of 318.21 g/mol. Its IUPAC name is ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium.

Molecular Properties

Compound Nameethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
PubChem CID177234828
Molecular FormulaC14H17N2OY-
Molecular Weight318.21 g/mol
Exact Mass318.04
IUPAC Nameethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
SMILESCC.Cc1[c-]cc(Cn2ccccc2=O)nc1.[Y]
InChIInChI=1S/C12H11N2O.C2H6.Y/c1-10-5-6-11(13-8-10)9-14-7-3-2-4-12(14)15;1-2;/h2-4,6-8H,9H2,1H3;1-2H3;/q-1;;
InChIKeySMVOCARLBZMKME-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one
CID 177191287
1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
CID 115582456
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-2-one
CID 673233
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
CID 62208669
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
CID 116618483
1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
CID 39967034
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687909
ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
CID 177191307
1-[[bromo(dimethyl)silyl]methyl]pyridin-2-one
CID 15448274
1-(diethylaminomethyl)pyridin-2-one
CID 18613535

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium?
The IUPAC name of ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium (CID 177234828) is ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium.
What is the SMILES notation for ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium?
The canonical SMILES for ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium is CC.Cc1[c-]cc(Cn2ccccc2=O)nc1.[Y].
What is the InChIKey of ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium?
The InChIKey is SMVOCARLBZMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O.C2H6.Y/c1-10-5-6-11(13-8-10)9-14-7-3-2-4-12(14)15;1-2;/h2-4,6-8H,9H2,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium?
ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium has a molecular weight of 318.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium is sourced from PubChem (CID 177234828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).