3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

C8H4N4O2 — CID 53412847

IUPAC3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cncc2[nH]cc([N+](=O)[O-])c12
InChIInChI=1S/C8H4N4O2/c9-1-5-2-10-3-6-8(5)7(4-11-6)12(13)14/h2-4,11H
InChIKeyXJJRRZRZGFXWPC-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.34
Rot. Bonds1

About 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (PubChem CID 53412847) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
PubChem CID53412847
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cncc2[nH]cc([N+](=O)[O-])c12
InChIInChI=1S/C8H4N4O2/c9-1-5-2-10-3-6-8(5)7(4-11-6)12(13)14/h2-4,11H
InChIKeyXJJRRZRZGFXWPC-UHFFFAOYSA-N
XLogP1.34
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.34
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'}

Analyze 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412895
3-iodo-4-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412698
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
3-fluoro-5-nitropyridine-4-carbonitrile
CID 131169176
7-bromo-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
CID 141215557
3-iodo-7-nitro-1H-indole-4-carbonitrile
CID 170949476
5-methoxy-4-nitropyridine-3-carbonitrile
CID 130938715
3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
CID 53412740
2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
CID 13302381
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
4-methoxy-7-nitro-1H-indole-3-carbonitrile
CID 170949782

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The IUPAC name of 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (CID 53412847) is 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The canonical SMILES for 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is N#Cc1cncc2[nH]cc([N+](=O)[O-])c12.
What is the InChIKey of 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The InChIKey is XJJRRZRZGFXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c9-1-5-2-10-3-6-8(5)7(4-11-6)12(13)14/h2-4,11H.
What are the key properties of 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile has a molecular weight of 188.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 53412847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).