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

C7H5F2N3O — CID 130103220

IUPAC3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1N
InChIInChI=1S/C7H5F2N3O/c8-7(9)6-5(11)3(2-10)1-4(13)12-6/h1,7H,11H2,(H,12,13)
InChIKeyUVJDVMGOLQYWAT-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.77
Rot. Bonds1

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

3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130103220) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID130103220
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1N
InChIInChI=1S/C7H5F2N3O/c8-7(9)6-5(11)3(2-10)1-4(13)12-6/h1,7H,11H2,(H,12,13)
InChIKeyUVJDVMGOLQYWAT-UHFFFAOYSA-N
XLogP0.77
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (CID 130103220) is 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(C(F)F)c1N.
What is the InChIKey of 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is UVJDVMGOLQYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-7(9)6-5(11)3(2-10)1-4(13)12-6/h1,7H,11H2,(H,12,13).
What are the key properties of 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 185.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130103220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).