4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C12H6BrFN2O2 — CID 116862206

IUPAC4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)ccc2F)cc(=O)[nH]c1O
InChIInChI=1S/C12H6BrFN2O2/c13-6-1-2-10(14)8(3-6)7-4-11(17)16-12(18)9(7)5-15/h1-4H,(H2,16,17,18)
InChIKeyVLEZESDQJJTKHE-UHFFFAOYSA-N
MW309.09 g/mol
LogP2.52
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 116862206) has the molecular formula C12H6BrFN2O2 and a molecular weight of 309.09 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID116862206
Molecular FormulaC12H6BrFN2O2
Molecular Weight309.09 g/mol
Exact Mass307.96
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)ccc2F)cc(=O)[nH]c1O
InChIInChI=1S/C12H6BrFN2O2/c13-6-1-2-10(14)8(3-6)7-4-11(17)16-12(18)9(7)5-15/h1-4H,(H2,16,17,18)
InChIKeyVLEZESDQJJTKHE-UHFFFAOYSA-N
XLogP2.52
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214
4-(5-bromo-2-hydroxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168587482

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 116862206) is 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cc(Br)ccc2F)cc(=O)[nH]c1O.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VLEZESDQJJTKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O2/c13-6-1-2-10(14)8(3-6)7-4-11(17)16-12(18)9(7)5-15/h1-4H,(H2,16,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 309.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).