3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

C8H4N4O2 — CID 53412740

IUPAC3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1nccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C8H4N4O2/c9-3-6-8-5(1-2-10-6)7(4-11-8)12(13)14/h1-2,4,11H
InChIKeyJHPVRRNCEVJOMY-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.34
Rot. Bonds1

About 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 53412740) 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-7-carbonitrile.

Molecular Properties

Compound Name3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID53412740
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1nccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C8H4N4O2/c9-3-6-8-5(1-2-10-6)7(4-11-8)12(13)14/h1-2,4,11H
InChIKeyJHPVRRNCEVJOMY-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'}

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Related Compounds

5-fluoro-8-nitroisoquinoline-1-carbonitrile
CID 82571543
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 53413145
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
4-methoxy-7-nitro-1H-indole-3-carbonitrile
CID 170949782
2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215
3-iodo-7-nitro-1H-indole-4-carbonitrile
CID 170949476
2-(3-nitro-1H-indol-7-yl)ethanamine
CID 83882305
2-(3-nitro-1H-indol-7-yl)acetaldehyde
CID 83881757
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2,4-dinitropyridine
CID 174686743
3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 53412847
3-[(4-cyano-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 62919934

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile (CID 53412740) is 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile is N#Cc1nccc2c([N+](=O)[O-])c[nH]c12.
What is the InChIKey of 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is JHPVRRNCEVJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c9-3-6-8-5(1-2-10-6)7(4-11-8)12(13)14/h1-2,4,11H.
What are the key properties of 3-nitro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
3-nitro-1H-pyrrolo[2,3-c]pyridine-7-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-7-carbonitrile is sourced from PubChem (CID 53412740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).