(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium

C10H11INOY- — CID 59954371

IUPAC(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium
SMILESCc1cc(I)c(C([NH-])=O)c(C)c1C.[Y]
InChIInChI=1S/C10H12INO.Y/c1-5-4-8(11)9(10(12)13)7(3)6(5)2;/h4H,1-3H3,(H2,12,13);/p-1
InChIKeyCLDWSKBIKBHHAF-UHFFFAOYSA-M
MW377.01 g/mol
LogP3.41
Rot. Bonds1

About (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium

(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium (PubChem CID 59954371) has the molecular formula C10H11INOY- and a molecular weight of 377.01 g/mol. Its IUPAC name is (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium.

Molecular Properties

Compound Name(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium
PubChem CID59954371
Molecular FormulaC10H11INOY-
Molecular Weight377.01 g/mol
Exact Mass376.89
IUPAC Name(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium
SMILESCc1cc(I)c(C([NH-])=O)c(C)c1C.[Y]
InChIInChI=1S/C10H12INO.Y/c1-5-4-8(11)9(10(12)13)7(3)6(5)2;/h4H,1-3H3,(H2,12,13);/p-1
InChIKeyCLDWSKBIKBHHAF-UHFFFAOYSA-M
XLogP3.41
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.01
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium
CID 54351714
3-iodo-4,5-dimethylbenzoic acid
CID 81431069
(2-amino-3,4,5-trimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone;(2-iodo-3,4,5-trimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 161246878
1-iodo-2,3,4,5-tetramethylbenzene;5-methylbenzene-1,2,3-triol
CID 123134198
2,4,6-triiodo-3-methylbenzamide
CID 175316367
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
4-formyl-2-iodo-6-methylbenzoyl chloride
CID 171015604
potassium 2-iodo-3,4,5-trimethylbenzoate
CID 141158453
6-tert-butyl-2,3,4-trimethylbenzoic acid
CID 59060884
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
(2,3,4,5-tetramethylphenyl) 2,3,4,6-tetramethylbenzoate
CID 59629933

Frequently Asked Questions

What is the IUPAC name of (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium?
The IUPAC name of (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium (CID 59954371) is (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium.
What is the SMILES notation for (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium?
The canonical SMILES for (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium is Cc1cc(I)c(C([NH-])=O)c(C)c1C.[Y].
What is the InChIKey of (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium?
The InChIKey is CLDWSKBIKBHHAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12INO.Y/c1-5-4-8(11)9(10(12)13)7(3)6(5)2;/h4H,1-3H3,(H2,12,13);/p-1.
What are the key properties of (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium?
(6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium has a molecular weight of 377.01 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-2,3,4-trimethylbenzoyl)azanide;yttrium is sourced from PubChem (CID 59954371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).