3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)

C10H11N2Y+2 — CID 23395994

IUPAC3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)
SMILESCCc1[c-]c(C)c(C)nc1C#N.[Y+3]
InChIInChI=1S/C10H11N2.Y/c1-4-9-5-7(2)8(3)12-10(9)6-11;/h4H2,1-3H3;/q-1;+3
InChIKeyBWOOIXOYUOOZGF-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.93
Rot. Bonds1

About 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)

3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+) (PubChem CID 23395994) has the molecular formula C10H11N2Y+2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+).

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)
PubChem CID23395994
Molecular FormulaC10H11N2Y+2
Molecular Weight248.12 g/mol
Exact Mass248.00
IUPAC Name3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)
SMILESCCc1[c-]c(C)c(C)nc1C#N.[Y+3]
InChIInChI=1S/C10H11N2.Y/c1-4-9-5-7(2)8(3)12-10(9)6-11;/h4H2,1-3H3;/q-1;+3
InChIKeyBWOOIXOYUOOZGF-UHFFFAOYSA-N
XLogP1.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2,3,5,6-tetramethyl-4H-pyridin-4-ide;yttrium
CID 58651170
carbanide;2,4,5,6-tetramethyl-3H-pyridin-3-ide;yttrium
CID 58651183
3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 59117714
3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium
CID 59297075
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium
CID 60037952
carbanide;3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 60098570
2-methyl-4-methylidene-3H-pyridine-6-carbonitrile
CID 174266856
3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium(3+)
CID 20607394
carbanide;3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium(3+)
CID 20740581
carbanide;2,3,5,6-tetramethyl-4H-pyridin-4-ide;yttrium(3+)
CID 21034534
carbanide;2,4,5,6-tetramethyl-3H-pyridin-3-ide;yttrium(3+)
CID 21034535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)?
The IUPAC name of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+) (CID 23395994) is 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+).
What is the SMILES notation for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)?
The canonical SMILES for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+) is CCc1[c-]c(C)c(C)nc1C#N.[Y+3].
What is the InChIKey of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)?
The InChIKey is BWOOIXOYUOOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.Y/c1-4-9-5-7(2)8(3)12-10(9)6-11;/h4H2,1-3H3;/q-1;+3.
What are the key properties of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)?
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+) has a molecular weight of 248.12 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+) is sourced from PubChem (CID 23395994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).