2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium

C13H11ClNY- — CID 59090978

IUPAC2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium
SMILES[CH2-]c1cc(-c2ccccc2)nc(Cl)c1C.[Y]
InChIInChI=1S/C13H11ClN.Y/c1-9-8-12(15-13(14)10(9)2)11-6-4-3-5-7-11;/h3-8H,1H2,2H3;/q-1;
InChIKeyCETPHMTWURQTHD-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.89
Rot. Bonds1

About 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium

2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium (PubChem CID 59090978) has the molecular formula C13H11ClNY- and a molecular weight of 305.60 g/mol. Its IUPAC name is 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium.

Molecular Properties

Compound Name2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium
PubChem CID59090978
Molecular FormulaC13H11ClNY-
Molecular Weight305.60 g/mol
Exact Mass304.96
IUPAC Name2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium
SMILES[CH2-]c1cc(-c2ccccc2)nc(Cl)c1C.[Y]
InChIInChI=1S/C13H11ClN.Y/c1-9-8-12(15-13(14)10(9)2)11-6-4-3-5-7-11;/h3-8H,1H2,2H3;/q-1;
InChIKeyCETPHMTWURQTHD-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium?
The IUPAC name of 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium (CID 59090978) is 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium.
What is the SMILES notation for 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium?
The canonical SMILES for 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium is [CH2-]c1cc(-c2ccccc2)nc(Cl)c1C.[Y].
What is the InChIKey of 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium?
The InChIKey is CETPHMTWURQTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN.Y/c1-9-8-12(15-13(14)10(9)2)11-6-4-3-5-7-11;/h3-8H,1H2,2H3;/q-1;.
What are the key properties of 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium?
2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium has a molecular weight of 305.60 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methanidyl-3-methyl-6-phenylpyridine;yttrium is sourced from PubChem (CID 59090978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).