2,4-dichloro-1-methylbenzene-3-ide;yttrium

C7H5Cl2Y- — CID 59907881

IUPAC2,4-dichloro-1-methylbenzene-3-ide;yttrium
SMILESCc1ccc(Cl)[c-]c1Cl.[Y]
InChIInChI=1S/C7H5Cl2.Y/c1-5-2-3-6(8)4-7(5)9;/h2-3H,1H3;/q-1;
InChIKeyBMNDVVAQRAOVRN-UHFFFAOYSA-N
MW248.93 g/mol
LogP3.10
Rot. Bonds

About 2,4-dichloro-1-methylbenzene-3-ide;yttrium

2,4-dichloro-1-methylbenzene-3-ide;yttrium (PubChem CID 59907881) has the molecular formula C7H5Cl2Y- and a molecular weight of 248.93 g/mol. Its IUPAC name is 2,4-dichloro-1-methylbenzene-3-ide;yttrium.

Molecular Properties

Compound Name2,4-dichloro-1-methylbenzene-3-ide;yttrium
PubChem CID59907881
Molecular FormulaC7H5Cl2Y-
Molecular Weight248.93 g/mol
Exact Mass247.88
IUPAC Name2,4-dichloro-1-methylbenzene-3-ide;yttrium
SMILESCc1ccc(Cl)[c-]c1Cl.[Y]
InChIInChI=1S/C7H5Cl2.Y/c1-5-2-3-6(8)4-7(5)9;/h2-3H,1H3;/q-1;
InChIKeyBMNDVVAQRAOVRN-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.93
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methylbenzene-2-id-1-ol;tungsten
CID 156723461
sodium 1,3-dichlorobenzene-2-ide
CID 155929884
2-chloro-6-fluoro-3-methylbenzenethiol
CID 118991446
2,6-dichloro-3-methylpyridine
CID 817088
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
2-chloro-6-(6-chloro-5-methyl-2-pyridinyl)-3-methylpyridine
CID 25228536
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
CID 57361684
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289
2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
CID 175089483
1,3-dimethylbenzene-2-ide;titanium(3+);dichloride
CID 87514740
2,3-dichloro-4-methylpyridine
CID 18930251

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-methylbenzene-3-ide;yttrium?
The IUPAC name of 2,4-dichloro-1-methylbenzene-3-ide;yttrium (CID 59907881) is 2,4-dichloro-1-methylbenzene-3-ide;yttrium.
What is the SMILES notation for 2,4-dichloro-1-methylbenzene-3-ide;yttrium?
The canonical SMILES for 2,4-dichloro-1-methylbenzene-3-ide;yttrium is Cc1ccc(Cl)[c-]c1Cl.[Y].
What is the InChIKey of 2,4-dichloro-1-methylbenzene-3-ide;yttrium?
The InChIKey is BMNDVVAQRAOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2.Y/c1-5-2-3-6(8)4-7(5)9;/h2-3H,1H3;/q-1;.
What are the key properties of 2,4-dichloro-1-methylbenzene-3-ide;yttrium?
2,4-dichloro-1-methylbenzene-3-ide;yttrium has a molecular weight of 248.93 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-methylbenzene-3-ide;yttrium is sourced from PubChem (CID 59907881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).