2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

C15H10FINO2Y- — CID 149006664

IUPAC2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESC#CCOc1cccc(F)c1-c1[c-]cc(I)c(=O)n1C.[Y]
InChIInChI=1S/C15H10FINO2.Y/c1-3-9-20-13-6-4-5-10(16)14(13)12-8-7-11(17)15(19)18(12)2;/h1,4-7H,9H2,2H3;/q-1;
InChIKeyJOCRECXKOWHASX-UHFFFAOYSA-N
MW471.06 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 149006664) has the molecular formula C15H10FINO2Y- and a molecular weight of 471.06 g/mol. Its IUPAC name is 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID149006664
Molecular FormulaC15H10FINO2Y-
Molecular Weight471.06 g/mol
Exact Mass470.88
IUPAC Name2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESC#CCOc1cccc(F)c1-c1[c-]cc(I)c(=O)n1C.[Y]
InChIInChI=1S/C15H10FINO2.Y/c1-3-9-20-13-6-4-5-10(16)14(13)12-8-7-11(17)15(19)18(12)2;/h1,4-7H,9H2,2H3;/q-1;
InChIKeyJOCRECXKOWHASX-UHFFFAOYSA-N
XLogP2.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.06
LogP ≤ 52.61
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 149006664) is 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is C#CCOc1cccc(F)c1-c1[c-]cc(I)c(=O)n1C.[Y].
What is the InChIKey of 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is JOCRECXKOWHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FINO2.Y/c1-3-9-20-13-6-4-5-10(16)14(13)12-8-7-11(17)15(19)18(12)2;/h1,4-7H,9H2,2H3;/q-1;.
What are the key properties of 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 471.06 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 149006664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).