2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium

C12H18NY- — CID 58763033

IUPAC2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium
SMILESCc1[c-]c(C(C)C)c(C(C)C)cn1.[Y]
InChIInChI=1S/C12H18N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h7-9H,1-5H3;/q-1;
InChIKeyFDYVZKTVVDLSKQ-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.43
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium

2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium (PubChem CID 58763033) has the molecular formula C12H18NY- and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium
PubChem CID58763033
Molecular FormulaC12H18NY-
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium
SMILESCc1[c-]c(C(C)C)c(C(C)C)cn1.[Y]
InChIInChI=1S/C12H18N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h7-9H,1-5H3;/q-1;
InChIKeyFDYVZKTVVDLSKQ-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
5-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57779809
5-methyl-2,3-di(propan-2-yl)-4H-pyridin-4-ide;yttrium
CID 58763043
3,5-Di(propan-2-yl)cyclopenta[b]pyrrole
CID 90393956
5-methyl-3,7-di(propan-2-yl)-4H-azepine
CID 90769078
7-ethyl-5-methyl-3-propan-2-yl-4H-azepine
CID 90958309
N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine
CID 91514253
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
CID 91866614
2-propan-2-yl-3-propan-2-ylidene-4H-pyridine
CID 118941642
5-propan-2-yl-4-propan-2-ylidene-3H-pyridine
CID 118941643
(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine
CID 131967160
N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine
CID 138616343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium (CID 58763033) is 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium is Cc1[c-]c(C(C)C)c(C(C)C)cn1.[Y].
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium?
The InChIKey is FDYVZKTVVDLSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h7-9H,1-5H3;/q-1;.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium?
2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium has a molecular weight of 265.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 58763033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).