5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

C9H9N2Y- — CID 160987578

IUPAC5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC#CC1=CC(C)=[C-]N(N)C1=C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-4-9-5-7(2)6-11(10)8(9)3;/h1,5H,3,10H2,2H3;/q-1;
InChIKeyWYOBCFFPVSLNIT-UHFFFAOYSA-N
MW234.09 g/mol
LogP0.95
Rot. Bonds

About 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (PubChem CID 160987578) has the molecular formula C9H9N2Y- and a molecular weight of 234.09 g/mol. Its IUPAC name is 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.

Molecular Properties

Compound Name5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
PubChem CID160987578
Molecular FormulaC9H9N2Y-
Molecular Weight234.09 g/mol
Exact Mass233.98
IUPAC Name5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC#CC1=CC(C)=[C-]N(N)C1=C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-4-9-5-7(2)6-11(10)8(9)3;/h1,5H,3,10H2,2H3;/q-1;
InChIKeyWYOBCFFPVSLNIT-UHFFFAOYSA-N
XLogP0.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147049295
5-ethynyl-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 157653169
3,5-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 160498349
3-Ethynyl-5-methyl-2-methylidenepyridin-1-amine
CID 160987579

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The IUPAC name of 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (CID 160987578) is 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.
What is the SMILES notation for 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The canonical SMILES for 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is C#CC1=CC(C)=[C-]N(N)C1=C.[Y].
What is the InChIKey of 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The InChIKey is WYOBCFFPVSLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Y/c1-4-9-5-7(2)6-11(10)8(9)3;/h1,5H,3,10H2,2H3;/q-1;.
What are the key properties of 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium has a molecular weight of 234.09 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is sourced from PubChem (CID 160987578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).