3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole

C21H17N3O2 — CID 71605070

IUPAC3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])C[C@H](c1ccccn1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-24(26)14-17(18-11-6-7-13-22-18)20-16-10-4-5-12-19(16)23-21(20)15-8-2-1-3-9-15/h1-13,17,23H,14H2/t17-/m1/s1
InChIKeyYRJLBKDTUWTHTB-QGZVFWFLSA-N
MW343.39 g/mol
LogP4.64
Rot. Bonds5

About 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole

3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole (PubChem CID 71605070) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
PubChem CID71605070
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])C[C@H](c1ccccn1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-24(26)14-17(18-11-6-7-13-22-18)20-16-10-4-5-12-19(16)23-21(20)15-8-2-1-3-9-15/h1-13,17,23H,14H2/t17-/m1/s1
InChIKeyYRJLBKDTUWTHTB-QGZVFWFLSA-N
XLogP4.64
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole (CID 71605070) is 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole is O=[N+]([O-])C[C@H](c1ccccn1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole?
The InChIKey is YRJLBKDTUWTHTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-24(26)14-17(18-11-6-7-13-22-18)20-16-10-4-5-12-19(16)23-21(20)15-8-2-1-3-9-15/h1-13,17,23H,14H2/t17-/m1/s1.
What are the key properties of 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole?
3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole has a molecular weight of 343.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 71605070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).