9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium

C13H11N2Y- — CID 59176535

IUPAC9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium
SMILES[CH2-]n1c2ccc(C)cc2c2ccncc21.[Y]
InChIInChI=1S/C13H11N2.Y/c1-9-3-4-12-11(7-9)10-5-6-14-8-13(10)15(12)2;/h3-8H,2H2,1H3;/q-1;
InChIKeyKJSMLNDCCYFGDD-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.14
Rot. Bonds

About 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium

9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium (PubChem CID 59176535) has the molecular formula C13H11N2Y- and a molecular weight of 284.15 g/mol. Its IUPAC name is 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium.

Molecular Properties

Compound Name9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium
PubChem CID59176535
Molecular FormulaC13H11N2Y-
Molecular Weight284.15 g/mol
Exact Mass284.00
IUPAC Name9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium
SMILES[CH2-]n1c2ccc(C)cc2c2ccncc21.[Y]
InChIInChI=1S/C13H11N2.Y/c1-9-3-4-12-11(7-9)10-5-6-14-8-13(10)15(12)2;/h3-8H,2H2,1H3;/q-1;
InChIKeyKJSMLNDCCYFGDD-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium?
The IUPAC name of 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium (CID 59176535) is 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium.
What is the SMILES notation for 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium?
The canonical SMILES for 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium is [CH2-]n1c2ccc(C)cc2c2ccncc21.[Y].
What is the InChIKey of 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium?
The InChIKey is KJSMLNDCCYFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2.Y/c1-9-3-4-12-11(7-9)10-5-6-14-8-13(10)15(12)2;/h3-8H,2H2,1H3;/q-1;.
What are the key properties of 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium?
9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium has a molecular weight of 284.15 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium is sourced from PubChem (CID 59176535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).