4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile

C12H7N5O3 — CID 141481736

IUPAC4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/N=N/c2ccccc2[N+](=O)[O-])cc[nH]c1=O
InChIInChI=1S/C12H7N5O3/c13-7-8-9(5-6-14-12(8)18)15-16-10-3-1-2-4-11(10)17(19)20/h1-6H,(H,14,18)/b16-15+
InChIKeyHAIJPCYEDNIWDP-FOCLMDBBSA-N
MW269.22 g/mol
LogP2.57
Rot. Bonds3

About 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile

4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 141481736) has the molecular formula C12H7N5O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID141481736
Molecular FormulaC12H7N5O3
Molecular Weight269.22 g/mol
Exact Mass269.05
IUPAC Name4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/N=N/c2ccccc2[N+](=O)[O-])cc[nH]c1=O
InChIInChI=1S/C12H7N5O3/c13-7-8-9(5-6-14-12(8)18)15-16-10-3-1-2-4-11(10)17(19)20/h1-6H,(H,14,18)/b16-15+
InChIKeyHAIJPCYEDNIWDP-FOCLMDBBSA-N
XLogP2.57
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloro-(2-nitrophenyl)diazene
CID 13403227
2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835001
2-nitro-6-sulfanylbenzonitrile
CID 150896521
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
3-(chloromethyl)-4-nitro-1H-pyridin-2-one
CID 131187844
2-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 118810429
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2754545
2-nitro-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 130951459
acetonitrile;1,2-dinitrobenzene
CID 174895848
(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
CID 138392055
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 141481736) is 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(/N=N/c2ccccc2[N+](=O)[O-])cc[nH]c1=O.
What is the InChIKey of 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HAIJPCYEDNIWDP-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H7N5O3/c13-7-8-9(5-6-14-12(8)18)15-16-10-3-1-2-4-11(10)17(19)20/h1-6H,(H,14,18)/b16-15+.
What are the key properties of 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 269.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 141481736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).