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

C14H10Cl2F2NOY- — CID 159462140

IUPAC5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
SMILESCc1cc(Cl)ccc1-c1[c-]cc(Cl)c(=O)n1CC(F)F.[Y]
InChIInChI=1S/C14H10Cl2F2NO.Y/c1-8-6-9(15)2-3-10(8)12-5-4-11(16)14(20)19(12)7-13(17)18;/h2-4,6,13H,7H2,1H3;/q-1;
InChIKeyWAECMRJHPANXEI-UHFFFAOYSA-N
MW406.05 g/mol
LogP4.19
Rot. Bonds3

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

5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159462140) has the molecular formula C14H10Cl2F2NOY- and a molecular weight of 406.05 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
PubChem CID159462140
Molecular FormulaC14H10Cl2F2NOY-
Molecular Weight406.05 g/mol
Exact Mass404.92
IUPAC Name5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
SMILESCc1cc(Cl)ccc1-c1[c-]cc(Cl)c(=O)n1CC(F)F.[Y]
InChIInChI=1S/C14H10Cl2F2NO.Y/c1-8-6-9(15)2-3-10(8)12-5-4-11(16)14(20)19(12)7-13(17)18;/h2-4,6,13H,7H2,1H3;/q-1;
InChIKeyWAECMRJHPANXEI-UHFFFAOYSA-N
XLogP4.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.05
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium (CID 159462140) is 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium is Cc1cc(Cl)ccc1-c1[c-]cc(Cl)c(=O)n1CC(F)F.[Y].
What is the InChIKey of 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is WAECMRJHPANXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2NO.Y/c1-8-6-9(15)2-3-10(8)12-5-4-11(16)14(20)19(12)7-13(17)18;/h2-4,6,13H,7H2,1H3;/q-1;.
What are the key properties of 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium?
5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 406.05 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159462140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).