2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium

C13H10BrClNOY- — CID 159051688

IUPAC2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1cc(Br)ccc1-c1[c-]cc(Cl)c(=O)n1C.[Y]
InChIInChI=1S/C13H10BrClNO.Y/c1-8-7-9(14)3-4-10(8)12-6-5-11(15)13(17)16(12)2;/h3-5,7H,1-2H3;/q-1;
InChIKeyWDGAUOWJRXJRFO-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.57
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium

2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159051688) has the molecular formula C13H10BrClNOY- and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID159051688
Molecular FormulaC13H10BrClNOY-
Molecular Weight400.49 g/mol
Exact Mass398.87
IUPAC Name2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1cc(Br)ccc1-c1[c-]cc(Cl)c(=O)n1C.[Y]
InChIInChI=1S/C13H10BrClNO.Y/c1-8-7-9(14)3-4-10(8)12-6-5-11(15)13(17)16(12)2;/h3-5,7H,1-2H3;/q-1;
InChIKeyWDGAUOWJRXJRFO-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 159944033
2-[4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)-3-methylphenoxy]acetonitrile;yttrium
CID 159088322
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488
2-(2,4-dichlorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160520589
5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160848103
2-(4-bromo-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
CID 159860968
2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160603933
5-bromo-1-ethyl-2-(4-hydroxy-2-methylphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 157387497
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
6-bromo-2-chloro-3-methylnaphthalene-1,4-dione
CID 70291332
4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 50796706
3-(4-bromo-2-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389362

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 159051688) is 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium is Cc1cc(Br)ccc1-c1[c-]cc(Cl)c(=O)n1C.[Y].
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is WDGAUOWJRXJRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClNO.Y/c1-8-7-9(14)3-4-10(8)12-6-5-11(15)13(17)16(12)2;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 400.49 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159051688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).