6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C13H12BrFNOY- — CID 153451262

IUPAC6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCC1C[C-]=C(c2c(F)cccc2Br)N(C)C1=O.[Y]
InChIInChI=1S/C13H12BrFNO.Y/c1-8-6-7-11(16(2)13(8)17)12-9(14)4-3-5-10(12)15;/h3-5,8H,6H2,1-2H3;/q-1;
InChIKeyUFKCSIDZNBFFMM-UHFFFAOYSA-N
MW386.05 g/mol
LogP3.23
Rot. Bonds1

About 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451262) has the molecular formula C13H12BrFNOY- and a molecular weight of 386.05 g/mol. Its IUPAC name is 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451262
Molecular FormulaC13H12BrFNOY-
Molecular Weight386.05 g/mol
Exact Mass384.92
IUPAC Name6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCC1C[C-]=C(c2c(F)cccc2Br)N(C)C1=O.[Y]
InChIInChI=1S/C13H12BrFNO.Y/c1-8-6-7-11(16(2)13(8)17)12-9(14)4-3-5-10(12)15;/h3-5,8H,6H2,1-2H3;/q-1;
InChIKeyUFKCSIDZNBFFMM-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.05
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451262) is 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CC1C[C-]=C(c2c(F)cccc2Br)N(C)C1=O.[Y].
What is the InChIKey of 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is UFKCSIDZNBFFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFNO.Y/c1-8-6-7-11(16(2)13(8)17)12-9(14)4-3-5-10(12)15;/h3-5,8H,6H2,1-2H3;/q-1;.
What are the key properties of 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 386.05 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).