5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile

C9H6F2N2O — CID 118039059

IUPAC5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)cnc1C(F)F
InChIInChI=1S/C9H6F2N2O/c1-5(14)7-2-6(3-12)4-13-8(7)9(10)11/h2,4,9H,1H3
InChIKeyBJVNHVQADOJYGN-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.09
Rot. Bonds2

About 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile

5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118039059) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118039059
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)cnc1C(F)F
InChIInChI=1S/C9H6F2N2O/c1-5(14)7-2-6(3-12)4-13-8(7)9(10)11/h2,4,9H,1H3
InChIKeyBJVNHVQADOJYGN-UHFFFAOYSA-N
XLogP2.09
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977
3-acetyl-4-(difluoromethyl)-5-(trifluoromethyl)benzonitrile
CID 171030902
1-(5-ethynyl-2-fluoro-3-pyridinyl)ethanone
CID 74788233
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
2-chloro-5-cyanopyridine-3-carboxylic acid
CID 55219588
N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide
CID 135185880
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540
3-acetyl-4,5-dimethylbenzonitrile
CID 117277025
2-acetyl-6-(difluoromethyl)-4-ethoxybenzonitrile
CID 171030907

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile (CID 118039059) is 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile is CC(=O)c1cc(C#N)cnc1C(F)F.
What is the InChIKey of 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BJVNHVQADOJYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5(14)7-2-6(3-12)4-13-8(7)9(10)11/h2,4,9H,1H3.
What are the key properties of 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile?
5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 196.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118039059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).