2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile

C8H6F2N2O2 — CID 130076444

IUPAC2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c[nH]c(C(F)F)c(C#N)c1=O
InChIInChI=1S/C8H6F2N2O2/c1-14-5-3-12-6(8(9)10)4(2-11)7(5)13/h3,8H,1H3,(H,12,13)
InChIKeyVKDJTXIHPXTBQS-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.19
Rot. Bonds2

About 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile

2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076444) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076444
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c[nH]c(C(F)F)c(C#N)c1=O
InChIInChI=1S/C8H6F2N2O2/c1-14-5-3-12-6(8(9)10)4(2-11)7(5)13/h3,8H,1H3,(H,12,13)
InChIKeyVKDJTXIHPXTBQS-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

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
methyl 4-cyano-3-(difluoromethyl)-5-methoxybenzoate
CID 134646931
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile (CID 130076444) is 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile is COc1c[nH]c(C(F)F)c(C#N)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VKDJTXIHPXTBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-5-3-12-6(8(9)10)4(2-11)7(5)13/h3,8H,1H3,(H,12,13).
What are the key properties of 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile?
2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-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 2-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).