5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

C10H11N2Y- — CID 147049295

IUPAC5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC#CC1=CC(C)=[C-]N(NC)C1=C.[Y]
InChIInChI=1S/C10H11N2.Y/c1-5-10-6-8(2)7-12(11-4)9(10)3;/h1,6,11H,3H2,2,4H3;/q-1;
InChIKeyABCBUKMXBNTLLY-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.21
Rot. Bonds1

About 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (PubChem CID 147049295) has the molecular formula C10H11N2Y- and a molecular weight of 248.12 g/mol. Its IUPAC name is 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.

Molecular Properties

Compound Name5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
PubChem CID147049295
Molecular FormulaC10H11N2Y-
Molecular Weight248.12 g/mol
Exact Mass248.00
IUPAC Name5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC#CC1=CC(C)=[C-]N(NC)C1=C.[Y]
InChIInChI=1S/C10H11N2.Y/c1-5-10-6-8(2)7-12(11-4)9(10)3;/h1,6,11H,3H2,2,4H3;/q-1;
InChIKeyABCBUKMXBNTLLY-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147857380
5-ethynyl-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 157653169
N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 158408414
5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 160987578
N,3,5-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 161134978
3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147049296

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The IUPAC name of 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (CID 147049295) is 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.
What is the SMILES notation for 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The canonical SMILES for 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is C#CC1=CC(C)=[C-]N(NC)C1=C.[Y].
What is the InChIKey of 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The InChIKey is ABCBUKMXBNTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.Y/c1-5-10-6-8(2)7-12(11-4)9(10)3;/h1,6,11H,3H2,2,4H3;/q-1;.
What are the key properties of 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium has a molecular weight of 248.12 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is sourced from PubChem (CID 147049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).