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

C14H8BrFN4O — CID 169394274

IUPAC2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Br)cc1F
InChIInChI=1S/C14H8BrFN4O/c1-6-2-7(10(15)3-11(6)16)12-8(4-17)13(19)20-14(21)9(12)5-18/h2-3H,1H3,(H3,19,20,21)
InChIKeyKAJLWVKYLOFJQJ-UHFFFAOYSA-N
MW347.15 g/mol
LogP2.58
Rot. Bonds1

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

2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394274) has the molecular formula C14H8BrFN4O and a molecular weight of 347.15 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394274
Molecular FormulaC14H8BrFN4O
Molecular Weight347.15 g/mol
Exact Mass345.99
IUPAC Name2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Br)cc1F
InChIInChI=1S/C14H8BrFN4O/c1-6-2-7(10(15)3-11(6)16)12-8(4-17)13(19)20-14(21)9(12)5-18/h2-3H,1H3,(H3,19,20,21)
InChIKeyKAJLWVKYLOFJQJ-UHFFFAOYSA-N
XLogP2.58
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182
2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393111
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-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395774
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-[3-bromo-2-hydroxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395964
2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393298

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394274) is 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Br)cc1F.
What is the InChIKey of 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is KAJLWVKYLOFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN4O/c1-6-2-7(10(15)3-11(6)16)12-8(4-17)13(19)20-14(21)9(12)5-18/h2-3H,1H3,(H3,19,20,21).
What are the key properties of 2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 347.15 g/mol, XLogP of 2.58, 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-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).