2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium

C9H6ClN2OY- — CID 166554155

IUPAC2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium
SMILESO=[C-]Cc1[nH]nc2cc(Cl)ccc12.[Y]
InChIInChI=1S/C9H6ClN2O.Y/c10-6-1-2-7-8(3-4-13)11-12-9(7)5-6;/h1-2,5H,3H2,(H,11,12);/q-1;
InChIKeyMSCGPQVGGZCEJH-UHFFFAOYSA-N
MW282.52 g/mol
LogP1.87
Rot. Bonds2

About 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium

2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium (PubChem CID 166554155) has the molecular formula C9H6ClN2OY- and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium.

Molecular Properties

Compound Name2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium
PubChem CID166554155
Molecular FormulaC9H6ClN2OY-
Molecular Weight282.52 g/mol
Exact Mass281.92
IUPAC Name2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium
SMILESO=[C-]Cc1[nH]nc2cc(Cl)ccc12.[Y]
InChIInChI=1S/C9H6ClN2O.Y/c10-6-1-2-7-8(3-4-13)11-12-9(7)5-6;/h1-2,5H,3H2,(H,11,12);/q-1;
InChIKeyMSCGPQVGGZCEJH-UHFFFAOYSA-N
XLogP1.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
CID 118994156
2-(5-chloro-2H-indazol-3-yl)ethanamine
CID 55254326
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate
CID 175949318
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole
CID 18663224
7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
CID 105498477
4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
CID 105463660
2-[1-(6-chloro-2H-indazol-3-yl)azepin-1-ium-1-yl]acetamide
CID 87999383
2-(6-iodo-2H-indazol-3-yl)ethanamine
CID 76846285
3-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909180
4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
CID 105499859

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium?
The IUPAC name of 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium (CID 166554155) is 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium.
What is the SMILES notation for 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium?
The canonical SMILES for 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium is O=[C-]Cc1[nH]nc2cc(Cl)ccc12.[Y].
What is the InChIKey of 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium?
The InChIKey is MSCGPQVGGZCEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN2O.Y/c10-6-1-2-7-8(3-4-13)11-12-9(7)5-6;/h1-2,5H,3H2,(H,11,12);/q-1;.
What are the key properties of 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium?
2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium has a molecular weight of 282.52 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium is sourced from PubChem (CID 166554155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).