2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile

C11H6BrN3O — CID 82307079

IUPAC2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2Br)[nH]c1=O
InChIInChI=1S/C11H6BrN3O/c12-9-4-2-1-3-8(9)10-14-6-7(5-13)11(16)15-10/h1-4,6H,(H,14,15,16)
InChIKeyFTKHRTROOHYCOS-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.07
Rot. Bonds1

About 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile

2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 82307079) has the molecular formula C11H6BrN3O and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID82307079
Molecular FormulaC11H6BrN3O
Molecular Weight276.09 g/mol
Exact Mass274.97
IUPAC Name2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2Br)[nH]c1=O
InChIInChI=1S/C11H6BrN3O/c12-9-4-2-1-3-8(9)10-14-6-7(5-13)11(16)15-10/h1-4,6H,(H,14,15,16)
InChIKeyFTKHRTROOHYCOS-UHFFFAOYSA-N
XLogP2.07
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
2-(4-tert-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82298468
2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113385081
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
2-(4-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21388807
5-bromo-2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 66312577
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
1-(2-bromophenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 20519698
5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828202
6-(2-bromophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63898865
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 82307079) is 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2Br)[nH]c1=O.
What is the InChIKey of 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is FTKHRTROOHYCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O/c12-9-4-2-1-3-8(9)10-14-6-7(5-13)11(16)15-10/h1-4,6H,(H,14,15,16).
What are the key properties of 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 276.09 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 82307079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).