benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium

C12H12N2Y-2 — CID 59190356

IUPACbenzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium
SMILESCc1c[c-]cnc1N.[Y].[c-]1ccccc1
InChIInChI=1S/C6H7N2.C6H5.Y/c1-5-3-2-4-8-6(5)7;1-2-4-6-5-3-1;/h3-4H,1H3,(H2,7,8);1-5H;/q2*-1;
InChIKeyCMYNLNOXSAZKSN-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.26
Rot. Bonds

About benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium

benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium (PubChem CID 59190356) has the molecular formula C12H12N2Y-2 and a molecular weight of 273.15 g/mol. Its IUPAC name is benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium.

Molecular Properties

Compound Namebenzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium
PubChem CID59190356
Molecular FormulaC12H12N2Y-2
Molecular Weight273.15 g/mol
Exact Mass273.01
IUPAC Namebenzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium
SMILESCc1c[c-]cnc1N.[Y].[c-]1ccccc1
InChIInChI=1S/C6H7N2.C6H5.Y/c1-5-3-2-4-8-6(5)7;1-2-4-6-5-3-1;/h3-4H,1H3,(H2,7,8);1-5H;/q2*-1;
InChIKeyCMYNLNOXSAZKSN-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.26
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;5-methyl-3H-pyridin-3-id-6-amine;yttrium?
The IUPAC name of benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium (CID 59190356) is benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium.
What is the SMILES notation for benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium?
The canonical SMILES for benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium is Cc1c[c-]cnc1N.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium?
The InChIKey is CMYNLNOXSAZKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.C6H5.Y/c1-5-3-2-4-8-6(5)7;1-2-4-6-5-3-1;/h3-4H,1H3,(H2,7,8);1-5H;/q2*-1;.
What are the key properties of benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium?
benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium has a molecular weight of 273.15 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium is sourced from PubChem (CID 59190356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).