6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile

C7H3F2IN2O — CID 130076424

IUPAC6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C7H3F2IN2O/c8-7(9)5-4(10)6(13)3(1-11)2-12-5/h2,7H,(H,12,13)
InChIKeyNUGGIELEIJTEHL-UHFFFAOYSA-N
MW296.01 g/mol
LogP1.79
Rot. Bonds1

About 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076424) has the molecular formula C7H3F2IN2O and a molecular weight of 296.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076424
Molecular FormulaC7H3F2IN2O
Molecular Weight296.01 g/mol
Exact Mass295.93
IUPAC Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C7H3F2IN2O/c8-7(9)5-4(10)6(13)3(1-11)2-12-5/h2,7H,(H,12,13)
InChIKeyNUGGIELEIJTEHL-UHFFFAOYSA-N
XLogP1.79
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
5-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076719
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 130076532
2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile
CID 130076444
5-cyano-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130077089
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 107606970

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile (CID 130076424) is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(C(F)F)c(I)c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NUGGIELEIJTEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O/c8-7(9)5-4(10)6(13)3(1-11)2-12-5/h2,7H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile?
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).