5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile

C7H4F3N3O — CID 141138151

IUPAC5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(N)cc1C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)3-1-4(12)6(14)13-5(3)2-11/h1H,12H2,(H,13,14)
InChIKeyWTCGUYCXFMBCJI-UHFFFAOYSA-N
MW203.12 g/mol
LogP0.85
Rot. Bonds

About 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile

5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile (PubChem CID 141138151) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
PubChem CID141138151
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(N)cc1C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)3-1-4(12)6(14)13-5(3)2-11/h1H,12H2,(H,13,14)
InChIKeyWTCGUYCXFMBCJI-UHFFFAOYSA-N
XLogP0.85
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 674145
6-Hydroxy-2-(trifluoromethyl)nicotinonitrile
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3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 91217060
3-amino-6-bromo-5-(trifluoromethyl)pyridin-2(1H)-one
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3-amino-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
CID 130102489
5-Amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 131511811
6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 169835442
2-Hydroxy-6-(trifluoromethyl)isonicotinonitrile
CID 84071415
6-Oxo-4-(trifluoromethyl)-1,6-dihydropyridine-2-carbonitrile
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6-Hydroxy-3-(trifluoromethyl)picolinonitrile
CID 105442935
4-(Difluoromethyl)-6-hydroxy-5-iodopicolinamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile (CID 141138151) is 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)c(N)cc1C(F)(F)F.
What is the InChIKey of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The InChIKey is WTCGUYCXFMBCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)3-1-4(12)6(14)13-5(3)2-11/h1H,12H2,(H,13,14).
What are the key properties of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile has a molecular weight of 203.12 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 141138151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).