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

C7H4F3N3O2 — CID 119021734

IUPAC6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(OC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,(H3,12,13,14)
InChIKeyRBLRXRDSJIYQAM-UHFFFAOYSA-N
MW219.12 g/mol
LogP0.73
Rot. Bonds1

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

6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile (PubChem CID 119021734) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
PubChem CID119021734
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(OC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,(H3,12,13,14)
InChIKeyRBLRXRDSJIYQAM-UHFFFAOYSA-N
XLogP0.73
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030326
2-Amino-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 118996110
6-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 119000821
2-Amino-6-(difluoromethyl)-3-methoxypyridin-4-ol
CID 119009923
6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbonitrile
CID 130076441
6-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130104545
6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 131096508
6-Amino-2-(bromomethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 131327110
6-amino-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131386028
6-bromo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131443397
4-oxo-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087828

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile (CID 119021734) is 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)c(OC(F)(F)F)c(N)[nH]1.
What is the InChIKey of 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The InChIKey is RBLRXRDSJIYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,(H3,12,13,14).
What are the key properties of 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile has a molecular weight of 219.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119021734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).