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

C7H4F3N3O2 — CID 131282215

IUPAC6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(N)[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3(2-11)1-4(12)13-6(5)14/h1H,(H3,12,13,14)
InChIKeyCWKULFZCBAOZSG-UHFFFAOYSA-N
MW219.12 g/mol
LogP0.73
Rot. Bonds1

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

6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 131282215) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID131282215
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(N)[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3(2-11)1-4(12)13-6(5)14/h1H,(H3,12,13,14)
InChIKeyCWKULFZCBAOZSG-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

3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131399939
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119022260
2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 130091811
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131072345
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
3-bromo-5-cyano-4-(trifluoromethoxy)benzoic acid
CID 134651982
5-amino-4-bromo-2-(trifluoromethoxy)benzonitrile
CID 131295537

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 131282215) is 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1cc(N)[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is CWKULFZCBAOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3(2-11)1-4(12)13-6(5)14/h1H,(H3,12,13,14).
What are the key properties of 6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-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-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 131282215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).