5-nitro-6-oxo-1H-pyridine-3-carbonitrile

C6H3N3O3 — CID 18509838

IUPAC5-nitro-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H3N3O3/c7-2-4-1-5(9(11)12)6(10)8-3-4/h1,3H,(H,8,10)
InChIKeySSYCVCKERZMXLP-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.15
Rot. Bonds1

About 5-nitro-6-oxo-1H-pyridine-3-carbonitrile

5-nitro-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 18509838) has the molecular formula C6H3N3O3 and a molecular weight of 165.11 g/mol. Its IUPAC name is 5-nitro-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID18509838
Molecular FormulaC6H3N3O3
Molecular Weight165.11 g/mol
Exact Mass165.02
IUPAC Name5-nitro-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H3N3O3/c7-2-4-1-5(9(11)12)6(10)8-3-4/h1,3H,(H,8,10)
InChIKeySSYCVCKERZMXLP-UHFFFAOYSA-N
XLogP0.15
TPSA99.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.15
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

2-Hydroxy-5-methyl-3-nitropyridine
CID 345643
2-Hydroxy-5-nitropyridine-3-carbonitrile
CID 541715
3-Nitro-5-(trifluoromethyl)pyridin-2-ol
CID 2775093
5-Amino-6-hydroxynicotinonitrile
CID 84716152
4-Cyano-5-(difluoromethyl)-2-hydroxy-3-nitropyridine
CID 118810583
4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
CID 130076543
5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130097008
6-Hydroxy-5-nitropyridine-3-carboxamide
CID 18509757
5-ethyl-3-nitro-2(1H)-Pyridinone
CID 138585584
4,5-dimethyl-3-nitro-1H-pyridin-2-one
CID 141052600
(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium
CID 143405624
ethane;5-methyl-3-nitro-1H-pyridin-2-one
CID 144601819

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-6-oxo-1H-pyridine-3-carbonitrile (CID 18509838) is 5-nitro-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SSYCVCKERZMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3/c7-2-4-1-5(9(11)12)6(10)8-3-4/h1,3H,(H,8,10).
What are the key properties of 5-nitro-6-oxo-1H-pyridine-3-carbonitrile?
5-nitro-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 165.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 18509838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).