2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile

C7H3F2N3O3 — CID 130076532

IUPAC2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O
InChIInChI=1S/C7H3F2N3O3/c8-7(9)5-3(1-10)6(13)4(2-11-5)12(14)15/h2,7H,(H,11,13)
InChIKeySDGYKKFYBKBLKD-UHFFFAOYSA-N
MW215.11 g/mol
LogP1.09
Rot. Bonds2

About 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile

2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076532) has the molecular formula C7H3F2N3O3 and a molecular weight of 215.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076532
Molecular FormulaC7H3F2N3O3
Molecular Weight215.11 g/mol
Exact Mass215.01
IUPAC Name2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O
InChIInChI=1S/C7H3F2N3O3/c8-7(9)5-3(1-10)6(13)4(2-11-5)12(14)15/h2,7H,(H,11,13)
InChIKeySDGYKKFYBKBLKD-UHFFFAOYSA-N
XLogP1.09
TPSA99.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 51.09
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

4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118803456
2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile
CID 130076444
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
4-(difluoromethyl)-3-fluoro-2,6-dinitrobenzonitrile
CID 88847883
4-(difluoromethyl)-3-nitrobenzonitrile
CID 96536478
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
CID 118833926

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile (CID 130076532) is 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SDGYKKFYBKBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O3/c8-7(9)5-3(1-10)6(13)4(2-11-5)12(14)15/h2,7H,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile?
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 215.11 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).