1-fluoro-3-nitropyrrolo[2,3-b]pyridine

C7H4FN3O2 — CID 141406209

IUPAC1-fluoro-3-nitropyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cn(F)c2ncccc12
InChIInChI=1S/C7H4FN3O2/c8-10-4-6(11(12)13)5-2-1-3-9-7(5)10/h1-4H
InChIKeyUSKVEEDDRWRCLG-UHFFFAOYSA-N
MW181.13 g/mol
LogP1.68
Rot. Bonds1

About 1-fluoro-3-nitropyrrolo[2,3-b]pyridine

1-fluoro-3-nitropyrrolo[2,3-b]pyridine (PubChem CID 141406209) has the molecular formula C7H4FN3O2 and a molecular weight of 181.13 g/mol. Its IUPAC name is 1-fluoro-3-nitropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-fluoro-3-nitropyrrolo[2,3-b]pyridine
PubChem CID141406209
Molecular FormulaC7H4FN3O2
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name1-fluoro-3-nitropyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cn(F)c2ncccc12
InChIInChI=1S/C7H4FN3O2/c8-10-4-6(11(12)13)5-2-1-3-9-7(5)10/h1-4H
InChIKeyUSKVEEDDRWRCLG-UHFFFAOYSA-N
XLogP1.68
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.68
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

1-fluoro-3-nitroindole
CID 151458918
ethyl 2-(3-nitropyrrolo[2,3-b]pyridin-1-yl)acetate
CID 14490470
5,6-dinitroquinoline
CID 119087514
3-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-b]pyridine
CID 11843374
3-nitro-2-[12-(3-nitro-2-pyridinyl)chrysen-6-yl]pyridine
CID 89115193
7-methyl-5-nitroquinoline
CID 137347294
2,3-dinitropyridine;hydrazine
CID 175406944
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
CID 88627944
CID 88627944
3-nitro-2-nitrosopyridine
CID 140999580
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-nitropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-fluoro-3-nitropyrrolo[2,3-b]pyridine (CID 141406209) is 1-fluoro-3-nitropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-fluoro-3-nitropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-fluoro-3-nitropyrrolo[2,3-b]pyridine is O=[N+]([O-])c1cn(F)c2ncccc12.
What is the InChIKey of 1-fluoro-3-nitropyrrolo[2,3-b]pyridine?
The InChIKey is USKVEEDDRWRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2/c8-10-4-6(11(12)13)5-2-1-3-9-7(5)10/h1-4H.
What are the key properties of 1-fluoro-3-nitropyrrolo[2,3-b]pyridine?
1-fluoro-3-nitropyrrolo[2,3-b]pyridine has a molecular weight of 181.13 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-nitropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141406209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).