carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium

C10H13NO3Y-2 — CID 58216149

IUPACcarbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium
SMILES[CH2-]c1cccc(=O)n1CC(=O)OC.[CH3-].[Y]
InChIInChI=1S/C9H10NO3.CH3.Y/c1-7-4-3-5-8(11)10(7)6-9(12)13-2;;/h3-5H,1,6H2,2H3;1H3;/q2*-1;
InChIKeySWLUGJFQIOCZSB-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.65
Rot. Bonds2

About carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium

carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium (PubChem CID 58216149) has the molecular formula C10H13NO3Y-2 and a molecular weight of 284.12 g/mol. Its IUPAC name is carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium
PubChem CID58216149
Molecular FormulaC10H13NO3Y-2
Molecular Weight284.12 g/mol
Exact Mass284.00
IUPAC Namecarbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium
SMILES[CH2-]c1cccc(=O)n1CC(=O)OC.[CH3-].[Y]
InChIInChI=1S/C9H10NO3.CH3.Y/c1-7-4-3-5-8(11)10(7)6-9(12)13-2;;/h3-5H,1,6H2,2H3;1H3;/q2*-1;
InChIKeySWLUGJFQIOCZSB-UHFFFAOYSA-N
XLogP0.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium?
The IUPAC name of carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium (CID 58216149) is carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium.
What is the SMILES notation for carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium?
The canonical SMILES for carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium is [CH2-]c1cccc(=O)n1CC(=O)OC.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium?
The InChIKey is SWLUGJFQIOCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO3.CH3.Y/c1-7-4-3-5-8(11)10(7)6-9(12)13-2;;/h3-5H,1,6H2,2H3;1H3;/q2*-1;.
What are the key properties of carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium?
carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium has a molecular weight of 284.12 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 2-(2-methanidyl-6-oxo-1-pyridinyl)acetate;yttrium is sourced from PubChem (CID 58216149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).