6-imidazol-1-yl-5-nitropyridine-3-carbonitrile

C9H5N5O2 — CID 103473390

IUPAC6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H5N5O2/c10-4-7-3-8(14(15)16)9(12-5-7)13-2-1-11-6-13/h1-3,5-6H
InChIKeyAJHPTINTCSYILO-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.05
Rot. Bonds2

About 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile

6-imidazol-1-yl-5-nitropyridine-3-carbonitrile (PubChem CID 103473390) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
PubChem CID103473390
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H5N5O2/c10-4-7-3-8(14(15)16)9(12-5-7)13-2-1-11-6-13/h1-3,5-6H
InChIKeyAJHPTINTCSYILO-UHFFFAOYSA-N
XLogP1.05
TPSA97.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
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 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile (CID 103473390) is 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile is N#Cc1cnc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile?
The InChIKey is AJHPTINTCSYILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-4-7-3-8(14(15)16)9(12-5-7)13-2-1-11-6-13/h1-3,5-6H.
What are the key properties of 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile?
6-imidazol-1-yl-5-nitropyridine-3-carbonitrile has a molecular weight of 215.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103473390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).