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

C8H7F2N3O — CID 130104803

IUPAC2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(=O)[nH]c(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(1-2-11)3-5(14)13-7/h3,8H,1,12H2,(H,13,14)
InChIKeyWVLLNHPUYYGAAO-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.96
Rot. Bonds2

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

2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 130104803) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID130104803
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(=O)[nH]c(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(1-2-11)3-5(14)13-7/h3,8H,1,12H2,(H,13,14)
InChIKeyWVLLNHPUYYGAAO-UHFFFAOYSA-N
XLogP0.96
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084556
5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101695
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100139
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile (CID 130104803) is 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile is N#CCc1cc(=O)[nH]c(C(F)F)c1N.
What is the InChIKey of 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is WVLLNHPUYYGAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(1-2-11)3-5(14)13-7/h3,8H,1,12H2,(H,13,14).
What are the key properties of 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile has a molecular weight of 199.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 130104803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).