4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C7H5N3O3 — CID 91663888

IUPAC4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c([N+](=O)[O-])ccnc2N1
InChIInChI=1S/C7H5N3O3/c11-6-3-4-5(10(12)13)1-2-8-7(4)9-6/h1-2H,3H2,(H,8,9,11)
InChIKeyWTLDHOARMFFBIQ-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.48
Rot. Bonds1

About 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 91663888) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID91663888
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c([N+](=O)[O-])ccnc2N1
InChIInChI=1S/C7H5N3O3/c11-6-3-4-5(10(12)13)1-2-8-7(4)9-6/h1-2H,3H2,(H,8,9,11)
InChIKeyWTLDHOARMFFBIQ-UHFFFAOYSA-N
XLogP0.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.48
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 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 91663888) is 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c([N+](=O)[O-])ccnc2N1.
What is the InChIKey of 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is WTLDHOARMFFBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-3-4-5(10(12)13)1-2-8-7(4)9-6/h1-2H,3H2,(H,8,9,11).
What are the key properties of 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 179.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 91663888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).