3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one

C15H13N3O3 — CID 2815207

IUPAC3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C(C[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C15H13N3O3/c19-15-14(10-5-1-2-7-13(10)17-15)11(9-18(20)21)12-6-3-4-8-16-12/h1-8,11,14H,9H2,(H,17,19)
InChIKeyQFWDCHBIRRQOLI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.18
Rot. Bonds4

About 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one

3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 2815207) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one
PubChem CID2815207
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C(C[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C15H13N3O3/c19-15-14(10-5-1-2-7-13(10)17-15)11(9-18(20)21)12-6-3-4-8-16-12/h1-8,11,14H,9H2,(H,17,19)
InChIKeyQFWDCHBIRRQOLI-UHFFFAOYSA-N
XLogP2.18
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one (CID 2815207) is 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C(C[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is QFWDCHBIRRQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15-14(10-5-1-2-7-13(10)17-15)11(9-18(20)21)12-6-3-4-8-16-12/h1-8,11,14H,9H2,(H,17,19).
What are the key properties of 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one?
3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 283.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitro-1-pyridin-2-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2815207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).