5-(chloromethyl)-2H-pyridin-2-ide;yttrium

C6H5ClNY- — CID 59218630

IUPAC5-(chloromethyl)-2H-pyridin-2-ide;yttrium
SMILESClCc1cc[c-]nc1.[Y]
InChIInChI=1S/C6H5ClN.Y/c7-4-6-2-1-3-8-5-6;/h1-2,5H,4H2;/q-1;
InChIKeyDSEJUUMLBRITCZ-UHFFFAOYSA-N
MW215.47 g/mol
LogP1.62
Rot. Bonds1

About 5-(chloromethyl)-2H-pyridin-2-ide;yttrium

5-(chloromethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 59218630) has the molecular formula C6H5ClNY- and a molecular weight of 215.47 g/mol. Its IUPAC name is 5-(chloromethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-(chloromethyl)-2H-pyridin-2-ide;yttrium
PubChem CID59218630
Molecular FormulaC6H5ClNY-
Molecular Weight215.47 g/mol
Exact Mass214.92
IUPAC Name5-(chloromethyl)-2H-pyridin-2-ide;yttrium
SMILESClCc1cc[c-]nc1.[Y]
InChIInChI=1S/C6H5ClN.Y/c7-4-6-2-1-3-8-5-6;/h1-2,5H,4H2;/q-1;
InChIKeyDSEJUUMLBRITCZ-UHFFFAOYSA-N
XLogP1.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.47
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methyl-3H-pyridin-3-ide;yttrium
CID 58056992
5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium
CID 59218627
carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
CID 59265010
2-chloro-5-methyl-4H-pyridin-4-ide;yttrium
CID 168176729
3-(Chloromethyl)-1-azacyclohepta-1,2,4,6-tetraene
CID 101120034

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-(chloromethyl)-2H-pyridin-2-ide;yttrium (CID 59218630) is 5-(chloromethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-(chloromethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-(chloromethyl)-2H-pyridin-2-ide;yttrium is ClCc1cc[c-]nc1.[Y].
What is the InChIKey of 5-(chloromethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is DSEJUUMLBRITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN.Y/c7-4-6-2-1-3-8-5-6;/h1-2,5H,4H2;/q-1;.
What are the key properties of 5-(chloromethyl)-2H-pyridin-2-ide;yttrium?
5-(chloromethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 215.47 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 59218630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).