2-(4-chloro-1H-indol-3-yl)ethanone;yttrium

C10H7ClNOY- — CID 166553982

IUPAC2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
SMILESO=[C-]Cc1c[nH]c2cccc(Cl)c12.[Y]
InChIInChI=1S/C10H7ClNO.Y/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9;/h1-3,6,12H,4H2;/q-1;
InChIKeyOTVPCNBGONUDQU-UHFFFAOYSA-N
MW281.53 g/mol
LogP2.47
Rot. Bonds2

About 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium

2-(4-chloro-1H-indol-3-yl)ethanone;yttrium (PubChem CID 166553982) has the molecular formula C10H7ClNOY- and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium.

Molecular Properties

Compound Name2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
PubChem CID166553982
Molecular FormulaC10H7ClNOY-
Molecular Weight281.53 g/mol
Exact Mass280.93
IUPAC Name2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
SMILESO=[C-]Cc1c[nH]c2cccc(Cl)c12.[Y]
InChIInChI=1S/C10H7ClNO.Y/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9;/h1-3,6,12H,4H2;/q-1;
InChIKeyOTVPCNBGONUDQU-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium?
The IUPAC name of 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium (CID 166553982) is 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium.
What is the SMILES notation for 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium?
The canonical SMILES for 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium is O=[C-]Cc1c[nH]c2cccc(Cl)c12.[Y].
What is the InChIKey of 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium?
The InChIKey is OTVPCNBGONUDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClNO.Y/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9;/h1-3,6,12H,4H2;/q-1;.
What are the key properties of 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium?
2-(4-chloro-1H-indol-3-yl)ethanone;yttrium has a molecular weight of 281.53 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-indol-3-yl)ethanone;yttrium is sourced from PubChem (CID 166553982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).