2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H5F5N4O — CID 169395780

IUPAC2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H5F5N4O/c15-8-2-1-7(14(17,18)19)11(16)10(8)9-5(3-20)12(22)23-13(24)6(9)4-21/h1-2H,(H3,22,23,24)
InChIKeyLFTNUKFCGDCSAK-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.66
Rot. Bonds1

About 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395780) has the molecular formula C14H5F5N4O and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395780
Molecular FormulaC14H5F5N4O
Molecular Weight340.21 g/mol
Exact Mass340.04
IUPAC Name2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H5F5N4O/c15-8-2-1-7(14(17,18)19)11(16)10(8)9-5(3-20)12(22)23-13(24)6(9)4-21/h1-2H,(H3,22,23,24)
InChIKeyLFTNUKFCGDCSAK-UHFFFAOYSA-N
XLogP2.66
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395774
2-amino-4-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395448
2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395484
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394270
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-4-(3,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394089
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393150
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1477185
2-amino-6-oxo-4-[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393727

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395780) is 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1c(F)ccc(C(F)(F)F)c1F.
What is the InChIKey of 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is LFTNUKFCGDCSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F5N4O/c15-8-2-1-7(14(17,18)19)11(16)10(8)9-5(3-20)12(22)23-13(24)6(9)4-21/h1-2H,(H3,22,23,24).
What are the key properties of 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 340.21 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).