benzene;3H-pyridin-3-id-6-amine;yttrium

C11H10N2Y-2 — CID 59190357

IUPACbenzene;3H-pyridin-3-id-6-amine;yttrium
SMILESNc1cc[c-]cn1.[Y].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5N2.Y/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;/h1-5H;1,3-4H,(H2,6,7);/q2*-1;
InChIKeyYHHVIPGLDYYRRX-UHFFFAOYSA-N
MW259.12 g/mol
LogP1.95
Rot. Bonds

About benzene;3H-pyridin-3-id-6-amine;yttrium

benzene;3H-pyridin-3-id-6-amine;yttrium (PubChem CID 59190357) has the molecular formula C11H10N2Y-2 and a molecular weight of 259.12 g/mol. Its IUPAC name is benzene;3H-pyridin-3-id-6-amine;yttrium.

Molecular Properties

Compound Namebenzene;3H-pyridin-3-id-6-amine;yttrium
PubChem CID59190357
Molecular FormulaC11H10N2Y-2
Molecular Weight259.12 g/mol
Exact Mass258.99
IUPAC Namebenzene;3H-pyridin-3-id-6-amine;yttrium
SMILESNc1cc[c-]cn1.[Y].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5N2.Y/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;/h1-5H;1,3-4H,(H2,6,7);/q2*-1;
InChIKeyYHHVIPGLDYYRRX-UHFFFAOYSA-N
XLogP1.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 benzene;3H-pyridin-3-id-6-amine;yttrium?
The IUPAC name of benzene;3H-pyridin-3-id-6-amine;yttrium (CID 59190357) is benzene;3H-pyridin-3-id-6-amine;yttrium.
What is the SMILES notation for benzene;3H-pyridin-3-id-6-amine;yttrium?
The canonical SMILES for benzene;3H-pyridin-3-id-6-amine;yttrium is Nc1cc[c-]cn1.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;3H-pyridin-3-id-6-amine;yttrium?
The InChIKey is YHHVIPGLDYYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H5N2.Y/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;/h1-5H;1,3-4H,(H2,6,7);/q2*-1;.
What are the key properties of benzene;3H-pyridin-3-id-6-amine;yttrium?
benzene;3H-pyridin-3-id-6-amine;yttrium has a molecular weight of 259.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3H-pyridin-3-id-6-amine;yttrium is sourced from PubChem (CID 59190357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).