2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium

C14H12ClINO2Y- — CID 158310514

IUPAC2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2ccc(OC)cc2Cl)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C14H12ClINO2.Y/c1-3-17-13(7-6-12(16)14(17)18)10-5-4-9(19-2)8-11(10)15;/h4-6,8H,3H2,1-2H3;/q-1;
InChIKeySCHLHJFBUKEHDQ-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium

2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium (PubChem CID 158310514) has the molecular formula C14H12ClINO2Y- and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
PubChem CID158310514
Molecular FormulaC14H12ClINO2Y-
Molecular Weight477.52 g/mol
Exact Mass476.87
IUPAC Name2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2ccc(OC)cc2Cl)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C14H12ClINO2.Y/c1-3-17-13(7-6-12(16)14(17)18)10-5-4-9(19-2)8-11(10)15;/h4-6,8H,3H2,1-2H3;/q-1;
InChIKeySCHLHJFBUKEHDQ-UHFFFAOYSA-N
XLogP3.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158259101
2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 159568272
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158034417
5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160848103
2-(4-but-2-ynoxy-2-methylphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 159380388
1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 148790144
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
5-bromo-1-ethyl-2-(4-hydroxy-2-methylphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 157387497
2-(2-bromo-4-hydroxyphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 160607048

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium (CID 158310514) is 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium is CCn1c(-c2ccc(OC)cc2Cl)[c-]cc(I)c1=O.[Y].
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is SCHLHJFBUKEHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClINO2.Y/c1-3-17-13(7-6-12(16)14(17)18)10-5-4-9(19-2)8-11(10)15;/h4-6,8H,3H2,1-2H3;/q-1;.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium?
2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 477.52 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 158310514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).