4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C12H7BrN2O2 — CID 116862222

IUPAC4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Br)cc(=O)[nH]c1O
InChIInChI=1S/C12H7BrN2O2/c13-10-4-2-1-3-7(10)8-5-11(16)15-12(17)9(8)6-14/h1-5H,(H2,15,16,17)
InChIKeyROYRIWVICXOTMF-UHFFFAOYSA-N
MW291.10 g/mol
LogP2.38
Rot. Bonds1

About 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 116862222) has the molecular formula C12H7BrN2O2 and a molecular weight of 291.10 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID116862222
Molecular FormulaC12H7BrN2O2
Molecular Weight291.10 g/mol
Exact Mass289.97
IUPAC Name4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Br)cc(=O)[nH]c1O
InChIInChI=1S/C12H7BrN2O2/c13-10-4-2-1-3-7(10)8-5-11(16)15-12(17)9(8)6-14/h1-5H,(H2,15,16,17)
InChIKeyROYRIWVICXOTMF-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
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
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
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
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82307079
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 116862222) is 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Br)cc(=O)[nH]c1O.
What is the InChIKey of 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ROYRIWVICXOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2/c13-10-4-2-1-3-7(10)8-5-11(16)15-12(17)9(8)6-14/h1-5H,(H2,15,16,17).
What are the key properties of 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 291.10 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).