1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine

C15H13N3O2 — CID 45272467

IUPAC1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccccc1CCn1ccc2ncccc21
InChIInChI=1S/C15H13N3O2/c19-18(20)14-5-2-1-4-12(14)7-10-17-11-8-13-15(17)6-3-9-16-13/h1-6,8-9,11H,7,10H2
InChIKeyCEHGVNIFTRLUOI-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine

1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine (PubChem CID 45272467) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine
PubChem CID45272467
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccccc1CCn1ccc2ncccc21
InChIInChI=1S/C15H13N3O2/c19-18(20)14-5-2-1-4-12(14)7-10-17-11-8-13-15(17)6-3-9-16-13/h1-6,8-9,11H,7,10H2
InChIKeyCEHGVNIFTRLUOI-UHFFFAOYSA-N
XLogP3.19
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
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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Related Compounds

4-Nitroquinoline 1-Oxide
CID 5955
5-Nitroquinoline
CID 11829
3-Methyl-4-nitroquinoline N-oxide
CID 26446
Quinoline, 4-nitro-
CID 77341
3-Nitroquinoline
CID 25551
4-[3-(4-fluorophenyl)-1-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11809327
3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 11822822
1-acetyl-N-(4-nitrophenyl)-1H-indol-3-amine
CID 12426536
2-Methyl-beta-carboline
CID 602830
N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine
CID 1208330
2-(3-Nitrophenyl)quinoxaline
CID 737736
2-(4-Nitrophenyl)quinoxaline
CID 761838

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine (CID 45272467) is 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine is O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21.
What is the InChIKey of 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine?
The InChIKey is CEHGVNIFTRLUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-18(20)14-5-2-1-4-12(14)7-10-17-11-8-13-15(17)6-3-9-16-13/h1-6,8-9,11H,7,10H2.
What are the key properties of 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine?
1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine has a molecular weight of 267.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrophenyl)ethyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 45272467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).