3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine

C7H4IN3O2 — CID 24729572

IUPAC3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1ccnc2[nH]cc(I)c12
InChIInChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10)
InChIKeyXLVXZIOZDIALSM-UHFFFAOYSA-N
MW289.03 g/mol
LogP2.08
Rot. Bonds1

About 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine

3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24729572) has the molecular formula C7H4IN3O2 and a molecular weight of 289.03 g/mol. Its IUPAC name is 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID24729572
Molecular FormulaC7H4IN3O2
Molecular Weight289.03 g/mol
Exact Mass288.93
IUPAC Name3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1ccnc2[nH]cc(I)c12
InChIInChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10)
InChIKeyXLVXZIOZDIALSM-UHFFFAOYSA-N
XLogP2.08
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412698
4-fluoro-3-iodo-7-nitro-1H-indole
CID 170949560
3-fluoro-2-iodo-4-nitropyridine
CID 130867110
3-chloro-2-iodo-4-nitropyridine
CID 131142975
3-iodo-7-nitro-1H-indole-4-carbonitrile
CID 170949476
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2,4-dinitropyridine
CID 174686743
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 91663888
3-iodo-1-(2-methoxyethyl)-4-nitropyrrolo[2,3-b]pyridine
CID 146025571
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 53413145
3-nitro-4-[(9S)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaen-9-yl]phenol
CID 129385556

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine (CID 24729572) is 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine is O=[N+]([O-])c1ccnc2[nH]cc(I)c12.
What is the InChIKey of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XLVXZIOZDIALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10).
What are the key properties of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine?
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 289.03 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24729572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).