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

C8H6F2N2O2 — CID 130076436

IUPAC5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
SMILESCOc1cc(C#N)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-5-2-4(3-11)12-8(13)6(5)7(9)10/h2,7H,1H3,(H,12,13)
InChIKeyWYOJYBUWOUBTTB-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.19
Rot. Bonds2

About 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile

5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076436) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076436
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
SMILESCOc1cc(C#N)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-5-2-4(3-11)12-8(13)6(5)7(9)10/h2,7H,1H3,(H,12,13)
InChIKeyWYOJYBUWOUBTTB-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

5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 130076699
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
3-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-sulfonamide
CID 130083567

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile (CID 130076436) is 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile is COc1cc(C#N)[nH]c(=O)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is WYOJYBUWOUBTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-5-2-4(3-11)12-8(13)6(5)7(9)10/h2,7H,1H3,(H,12,13).
What are the key properties of 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile?
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-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 5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).