2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H9FN4O3S — CID 169395877

IUPAC2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCS(=O)(=O)c1c(F)cccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9FN4O3S/c1-23(21,22)12-7(3-2-4-10(12)15)11-8(5-16)13(18)19-14(20)9(11)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyJQBLQDBXVLPSFL-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.91
Rot. Bonds2

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

2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395877) has the molecular formula C14H9FN4O3S and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395877
Molecular FormulaC14H9FN4O3S
Molecular Weight332.32 g/mol
Exact Mass332.04
IUPAC Name2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCS(=O)(=O)c1c(F)cccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9FN4O3S/c1-23(21,22)12-7(3-2-4-10(12)15)11-8(5-16)13(18)19-14(20)9(11)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyJQBLQDBXVLPSFL-UHFFFAOYSA-N
XLogP0.91
TPSA140.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393150
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] acetate
CID 169395905
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394361
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395877) is 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CS(=O)(=O)c1c(F)cccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JQBLQDBXVLPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O3S/c1-23(21,22)12-7(3-2-4-10(12)15)11-8(5-16)13(18)19-14(20)9(11)6-17/h2-4H,1H3,(H3,18,19,20).
What are the key properties of 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 332.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).