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

C7H5F2N3O — CID 119011208

IUPAC6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(N)[nH]1
InChIInChI=1S/C7H5F2N3O/c8-6(9)5-4(13)1-3(2-10)12-7(5)11/h1,6H,(H3,11,12,13)
InChIKeyPLTWYEFQLGAVBB-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.77
Rot. Bonds1

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

6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119011208) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID119011208
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(N)[nH]1
InChIInChI=1S/C7H5F2N3O/c8-6(9)5-4(13)1-3(2-10)12-7(5)11/h1,6H,(H3,11,12,13)
InChIKeyPLTWYEFQLGAVBB-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 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 119011208) is 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)c(C(F)F)c(N)[nH]1.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is PLTWYEFQLGAVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)5-4(13)1-3(2-10)12-7(5)11/h1,6H,(H3,11,12,13).
What are the key properties of 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-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 6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119011208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).