2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C13H6BrFN4O — CID 169393150

IUPAC2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(Br)c1F
InChIInChI=1S/C13H6BrFN4O/c14-9-3-1-2-6(11(9)15)10-7(4-16)12(18)19-13(20)8(10)5-17/h1-3H,(H3,18,19,20)
InChIKeyPRZFLNBZFYLFQD-UHFFFAOYSA-N
MW333.12 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393150) has the molecular formula C13H6BrFN4O and a molecular weight of 333.12 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393150
Molecular FormulaC13H6BrFN4O
Molecular Weight333.12 g/mol
Exact Mass331.97
IUPAC Name2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(Br)c1F
InChIInChI=1S/C13H6BrFN4O/c14-9-3-1-2-6(11(9)15)10-7(4-16)12(18)19-13(20)8(10)5-17/h1-3H,(H3,18,19,20)
InChIKeyPRZFLNBZFYLFQD-UHFFFAOYSA-N
XLogP2.27
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395877
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
2-amino-4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395774
2-amino-6-oxo-4-[2-[(2,3,4-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393715
2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395837
2-amino-4-[3-bromo-2-hydroxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395964

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393150) is 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(Br)c1F.
What is the InChIKey of 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is PRZFLNBZFYLFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFN4O/c14-9-3-1-2-6(11(9)15)10-7(4-16)12(18)19-13(20)8(10)5-17/h1-3H,(H3,18,19,20).
What are the key properties of 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 333.12 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).