5-amino-4-nitropyridine-3-carbonitrile

C6H4N4O2 — CID 19034852

IUPAC5-amino-4-nitropyridine-3-carbonitrile
SMILESN#Cc1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O2/c7-1-4-2-9-3-5(8)6(4)10(11)12/h2-3H,8H2
InChIKeyVCTIZMQPNIGTBE-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.44
Rot. Bonds1

About 5-amino-4-nitropyridine-3-carbonitrile

5-amino-4-nitropyridine-3-carbonitrile (PubChem CID 19034852) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 5-amino-4-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-nitropyridine-3-carbonitrile
PubChem CID19034852
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name5-amino-4-nitropyridine-3-carbonitrile
SMILESN#Cc1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O2/c7-1-4-2-9-3-5(8)6(4)10(11)12/h2-3H,8H2
InChIKeyVCTIZMQPNIGTBE-UHFFFAOYSA-N
XLogP0.44
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.44
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 5-amino-4-nitropyridine-3-carbonitrile?
The IUPAC name of 5-amino-4-nitropyridine-3-carbonitrile (CID 19034852) is 5-amino-4-nitropyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-4-nitropyridine-3-carbonitrile?
The canonical SMILES for 5-amino-4-nitropyridine-3-carbonitrile is N#Cc1cncc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitropyridine-3-carbonitrile?
The InChIKey is VCTIZMQPNIGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c7-1-4-2-9-3-5(8)6(4)10(11)12/h2-3H,8H2.
What are the key properties of 5-amino-4-nitropyridine-3-carbonitrile?
5-amino-4-nitropyridine-3-carbonitrile has a molecular weight of 164.12 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-nitropyridine-3-carbonitrile is sourced from PubChem (CID 19034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).