5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

C17H15BrN2O3 — CID 19115209

IUPAC5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)c2ccc(Br)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15BrN2O3/c1-3-8-20-16(22)13(9-19)10(2)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3
InChIKeyASDQBVXLOQHAOX-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.14
Rot. Bonds4

About 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 19115209) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID19115209
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)c2ccc(Br)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15BrN2O3/c1-3-8-20-16(22)13(9-19)10(2)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3
InChIKeyASDQBVXLOQHAOX-UHFFFAOYSA-N
XLogP3.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromobenzoyl)-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118689
5-(4-bromobenzoyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117082
6-hydroxy-4-methyl-2-oxo-5-(4-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115244
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117350
5-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115304
1-butyl-5-(4-hexoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115381
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280
5-(4-ethoxybenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115099
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
1-(3-ethoxypropyl)-6-hydroxy-4-methyl-2-oxo-5-(4-propoxybenzoyl)pyridine-3-carbonitrile
CID 19117251
6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117340
1-butan-2-yl-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19115868

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 19115209) is 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C(=O)c2ccc(Br)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is ASDQBVXLOQHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-3-8-20-16(22)13(9-19)10(2)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3.
What are the key properties of 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 375.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).