2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium

C15H15ClNO2Y- — CID 159568272

IUPAC2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCOc1ccc(-c2[c-]ccc(=O)n2CC)c(Cl)c1.[Y]
InChIInChI=1S/C15H15ClNO2.Y/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16;/h5,7-10H,3-4H2,1-2H3;/q-1;
InChIKeyOODFGIXHKYLSOI-UHFFFAOYSA-N
MW365.65 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium

2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159568272) has the molecular formula C15H15ClNO2Y- and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID159568272
Molecular FormulaC15H15ClNO2Y-
Molecular Weight365.65 g/mol
Exact Mass364.99
IUPAC Name2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCOc1ccc(-c2[c-]ccc(=O)n2CC)c(Cl)c1.[Y]
InChIInChI=1S/C15H15ClNO2.Y/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16;/h5,7-10H,3-4H2,1-2H3;/q-1;
InChIKeyOODFGIXHKYLSOI-UHFFFAOYSA-N
XLogP3.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158259101
3-bromo-6-(2-chloro-4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450736
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
2-(2-chloro-4-ethoxyphenyl)-3-ethyl-7-methyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 68532315
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 146982885
2-(2-chloro-4-ethoxyphenyl)benzoic acid
CID 53218434
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
2-(2-chloro-4-ethoxyphenyl)-6-methylbenzoic acid
CID 53228137
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium (CID 159568272) is 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium is CCOc1ccc(-c2[c-]ccc(=O)n2CC)c(Cl)c1.[Y].
What is the InChIKey of 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is OODFGIXHKYLSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClNO2.Y/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16;/h5,7-10H,3-4H2,1-2H3;/q-1;.
What are the key properties of 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 365.65 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159568272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).