6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole

C14H9N5O2 — CID 57477687

IUPAC6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole
SMILESO=[N+]([O-])c1ccc2cn(-c3ccnc4[nH]ccc34)nc2c1
InChIInChI=1S/C14H9N5O2/c20-19(21)10-2-1-9-8-18(17-12(9)7-10)13-4-6-16-14-11(13)3-5-15-14/h1-8H,(H,15,16)
InChIKeyDWALUJKFLVAFDD-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.81
Rot. Bonds2

About 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole

6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole (PubChem CID 57477687) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole.

Molecular Properties

Compound Name6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole
PubChem CID57477687
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole
SMILESO=[N+]([O-])c1ccc2cn(-c3ccnc4[nH]ccc34)nc2c1
InChIInChI=1S/C14H9N5O2/c20-19(21)10-2-1-9-8-18(17-12(9)7-10)13-4-6-16-14-11(13)3-5-15-14/h1-8H,(H,15,16)
InChIKeyDWALUJKFLVAFDD-UHFFFAOYSA-N
XLogP2.81
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole?
The IUPAC name of 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole (CID 57477687) is 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole.
What is the SMILES notation for 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole?
The canonical SMILES for 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole is O=[N+]([O-])c1ccc2cn(-c3ccnc4[nH]ccc34)nc2c1.
What is the InChIKey of 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole?
The InChIKey is DWALUJKFLVAFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-19(21)10-2-1-9-8-18(17-12(9)7-10)13-4-6-16-14-11(13)3-5-15-14/h1-8H,(H,15,16).
What are the key properties of 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole?
6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole has a molecular weight of 279.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazole is sourced from PubChem (CID 57477687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).