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

C7H5F2N3O — CID 130103227

IUPAC5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(N)c1C(F)F
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-3(1-10)2-12-7(13)5(4)11/h2,6H,11H2,(H,12,13)
InChIKeyZHGPSZWRDRAVDC-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.77
Rot. Bonds1

About 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile

5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130103227) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID130103227
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(N)c1C(F)F
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-3(1-10)2-12-7(13)5(4)11/h2,6H,11H2,(H,12,13)
InChIKeyZHGPSZWRDRAVDC-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 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 130103227) is 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(N)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZHGPSZWRDRAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)4-3(1-10)2-12-7(13)5(4)11/h2,6H,11H2,(H,12,13).
What are the key properties of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-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 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130103227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).