3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile

C10H7N5O2 — CID 82813995

IUPAC3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nn2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O2/c11-7-8-3-4-12-10(9(8)15(16)17)13-14-5-1-2-6-14/h1-6H,(H,12,13)
InChIKeyJIIBFFAGFILPTA-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.54
Rot. Bonds3

About 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile

3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile (PubChem CID 82813995) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile
PubChem CID82813995
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nn2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O2/c11-7-8-3-4-12-10(9(8)15(16)17)13-14-5-1-2-6-14/h1-6H,(H,12,13)
InChIKeyJIIBFFAGFILPTA-UHFFFAOYSA-N
XLogP1.54
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile (CID 82813995) is 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile is N#Cc1ccnc(Nn2cccc2)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile?
The InChIKey is JIIBFFAGFILPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-7-8-3-4-12-10(9(8)15(16)17)13-14-5-1-2-6-14/h1-6H,(H,12,13).
What are the key properties of 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile?
3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile has a molecular weight of 229.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82813995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).