5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium

C7H7ClNY- — CID 59218627

IUPAC5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium
SMILESCC(Cl)c1cc[c-]nc1.[Y]
InChIInChI=1S/C7H7ClN.Y/c1-6(8)7-3-2-4-9-5-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyBXSABSNKKNAIQU-UHFFFAOYSA-N
MW229.50 g/mol
LogP2.18
Rot. Bonds1

About 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium

5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 59218627) has the molecular formula C7H7ClNY- and a molecular weight of 229.50 g/mol. Its IUPAC name is 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium
PubChem CID59218627
Molecular FormulaC7H7ClNY-
Molecular Weight229.50 g/mol
Exact Mass228.93
IUPAC Name5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium
SMILESCC(Cl)c1cc[c-]nc1.[Y]
InChIInChI=1S/C7H7ClN.Y/c1-6(8)7-3-2-4-9-5-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyBXSABSNKKNAIQU-UHFFFAOYSA-N
XLogP2.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.50
LogP ≤ 52.18
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-(chloromethyl)-2H-pyridin-2-ide;yttrium
CID 59218630
carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
CID 59265010
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
2-chloro-5-methyl-4H-pyridin-4-ide;yttrium
CID 168176729
2-chloro-5-methyl-4H-pyridin-4-ide;ethane;yttrium
CID 168177012

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium (CID 59218627) is 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium is CC(Cl)c1cc[c-]nc1.[Y].
What is the InChIKey of 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is BXSABSNKKNAIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN.Y/c1-6(8)7-3-2-4-9-5-7;/h2-3,5-6H,1H3;/q-1;.
What are the key properties of 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium?
5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 229.50 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 59218627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).