2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile

C8H5F2IN2O — CID 118842993

IUPAC2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-5(11)7(14)4(1-2-12)3-13-6/h3,8H,1H2,(H,13,14)
InChIKeyFABDEHQXORHMOW-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.98
Rot. Bonds2

About 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile

2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 118842993) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID118842993
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-5(11)7(14)4(1-2-12)3-13-6/h3,8H,1H2,(H,13,14)
InChIKeyFABDEHQXORHMOW-UHFFFAOYSA-N
XLogP1.98
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 51.98
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

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084556
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 130104803
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile (CID 118842993) is 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile is N#CCc1c[nH]c(C(F)F)c(I)c1=O.
What is the InChIKey of 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is FABDEHQXORHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)6-5(11)7(14)4(1-2-12)3-13-6/h3,8H,1H2,(H,13,14).
What are the key properties of 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile?
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile has a molecular weight of 310.04 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 118842993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).