(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium

C9H13BrN4Y-2 — CID 156707037

IUPAC(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium
SMILES[NH-]CCC[N-]Cc1cc(Br)cnc1N.[Y]
InChIInChI=1S/C9H13BrN4.Y/c10-8-4-7(9(12)14-6-8)5-13-3-1-2-11;/h4,6,11H,1-3,5H2,(H2,12,14);/q-2;
InChIKeyRYXWZNIRUPKFFZ-UHFFFAOYSA-N
MW346.04 g/mol
LogP2.74
Rot. Bonds5

About (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium

(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium (PubChem CID 156707037) has the molecular formula C9H13BrN4Y-2 and a molecular weight of 346.04 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium
PubChem CID156707037
Molecular FormulaC9H13BrN4Y-2
Molecular Weight346.04 g/mol
Exact Mass344.94
IUPAC Name(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium
SMILES[NH-]CCC[N-]Cc1cc(Br)cnc1N.[Y]
InChIInChI=1S/C9H13BrN4.Y/c10-8-4-7(9(12)14-6-8)5-13-3-1-2-11;/h4,6,11H,1-3,5H2,(H2,12,14);/q-2;
InChIKeyRYXWZNIRUPKFFZ-UHFFFAOYSA-N
XLogP2.74
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.04
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium (CID 156707037) is (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium is [NH-]CCC[N-]Cc1cc(Br)cnc1N.[Y].
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium?
The InChIKey is RYXWZNIRUPKFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4.Y/c10-8-4-7(9(12)14-6-8)5-13-3-1-2-11;/h4,6,11H,1-3,5H2,(H2,12,14);/q-2;.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium?
(2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium has a molecular weight of 346.04 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)methyl-(3-azanidylpropyl)azanide;yttrium is sourced from PubChem (CID 156707037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).