3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile

C8H6F2N2O2 — CID 130076467

IUPAC3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
SMILESCOc1[nH]c(=O)cc(C#N)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-8-6(7(9)10)4(3-11)2-5(13)12-8/h2,7H,1H3,(H,12,13)
InChIKeyAHXQCKAJQVKDSD-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.19
Rot. Bonds2

About 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile

3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130076467) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID130076467
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
SMILESCOc1[nH]c(=O)cc(C#N)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-8-6(7(9)10)4(3-11)2-5(13)12-8/h2,7H,1H3,(H,12,13)
InChIKeyAHXQCKAJQVKDSD-UHFFFAOYSA-N
XLogP1.19
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
methyl 3-cyano-2-methoxy-6-oxo-1H-pyridine-4-carboxylate
CID 14741748
methyl 3-cyano-2-(difluoromethyl)-5-formylbenzoate
CID 134646853
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile (CID 130076467) is 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile is COc1[nH]c(=O)cc(C#N)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is AHXQCKAJQVKDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-8-6(7(9)10)4(3-11)2-5(13)12-8/h2,7H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile?
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 200.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130076467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).