2-amino-6-nitropyridine-3-carbonitrile

C6H4N4O2 — CID 119001110

IUPAC2-amino-6-nitropyridine-3-carbonitrile
SMILESN#Cc1ccc([N+](=O)[O-])nc1N
InChIInChI=1S/C6H4N4O2/c7-3-4-1-2-5(10(11)12)9-6(4)8/h1-2H,(H2,8,9)
InChIKeyICKQXCSLQJYMHV-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.44
Rot. Bonds1

About 2-amino-6-nitropyridine-3-carbonitrile

2-amino-6-nitropyridine-3-carbonitrile (PubChem CID 119001110) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 2-amino-6-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-nitropyridine-3-carbonitrile
PubChem CID119001110
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name2-amino-6-nitropyridine-3-carbonitrile
SMILESN#Cc1ccc([N+](=O)[O-])nc1N
InChIInChI=1S/C6H4N4O2/c7-3-4-1-2-5(10(11)12)9-6(4)8/h1-2H,(H2,8,9)
InChIKeyICKQXCSLQJYMHV-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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Related Compounds

2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
6-nitro-3-phenylpyridin-2-amine
CID 119007149
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
6-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 133097281
2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131216692
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
2-ethynyl-6-nitropyridine
CID 74787715
5-amino-2-nitrobenzonitrile
CID 53400683
2-cyano-4-nitrophenolate
CID 15373227
2-amino-6-butylpyridine-3-carbonitrile
CID 82411114
2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
CID 55045756
4-amino-3-nitrobenzonitrile
CID 595901

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-nitropyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-nitropyridine-3-carbonitrile (CID 119001110) is 2-amino-6-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-nitropyridine-3-carbonitrile is N#Cc1ccc([N+](=O)[O-])nc1N.
What is the InChIKey of 2-amino-6-nitropyridine-3-carbonitrile?
The InChIKey is ICKQXCSLQJYMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c7-3-4-1-2-5(10(11)12)9-6(4)8/h1-2H,(H2,8,9).
What are the key properties of 2-amino-6-nitropyridine-3-carbonitrile?
2-amino-6-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 2-amino-6-nitropyridine-3-carbonitrile is sourced from PubChem (CID 119001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).