2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane

C24H25ClN2O — CID 145022337

IUPAC2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane
SMILESCC.Cn1c(-c2ccccn2)c(C(CO)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN2O.C2H6/c1-25-20-13-16(23)10-11-17(20)21(22(25)19-9-5-6-12-24-19)18(14-26)15-7-3-2-4-8-15;1-2/h2-13,18,26H,14H2,1H3;1-2H3
InChIKeyONFWWTBYPOJBPZ-UHFFFAOYSA-N
MW392.93 g/mol
LogP6.04
Rot. Bonds4

About 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane

2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane (PubChem CID 145022337) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane.

Molecular Properties

Compound Name2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane
PubChem CID145022337
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane
SMILESCC.Cn1c(-c2ccccn2)c(C(CO)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN2O.C2H6/c1-25-20-13-16(23)10-11-17(20)21(22(25)19-9-5-6-12-24-19)18(14-26)15-7-3-2-4-8-15;1-2/h2-13,18,26H,14H2,1H3;1-2H3
InChIKeyONFWWTBYPOJBPZ-UHFFFAOYSA-N
XLogP6.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane?
The IUPAC name of 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane (CID 145022337) is 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane.
What is the SMILES notation for 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane?
The canonical SMILES for 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane is CC.Cn1c(-c2ccccn2)c(C(CO)c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane?
The InChIKey is ONFWWTBYPOJBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O.C2H6/c1-25-20-13-16(23)10-11-17(20)21(22(25)19-9-5-6-12-24-19)18(14-26)15-7-3-2-4-8-15;1-2/h2-13,18,26H,14H2,1H3;1-2H3.
What are the key properties of 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane?
2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane has a molecular weight of 392.93 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane is sourced from PubChem (CID 145022337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).