1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile

C13H9BrN2O — CID 130561396

IUPAC1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H9BrN2O/c14-12-6-11(7-15)13(17)16(9-12)8-10-4-2-1-3-5-10/h1-6,9H,8H2
InChIKeyDQMDRFDMZLYTIG-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.53
Rot. Bonds2

About 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile

1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile (PubChem CID 130561396) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
PubChem CID130561396
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H9BrN2O/c14-12-6-11(7-15)13(17)16(9-12)8-10-4-2-1-3-5-10/h1-6,9H,8H2
InChIKeyDQMDRFDMZLYTIG-UHFFFAOYSA-N
XLogP2.53
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
5-bromo-2-oxo-1-(2-oxoethyl)pyridine-3-carbonitrile
CID 130561337
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 165416864
5-amino-2-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carbonitrile
CID 82043798
1-benzyl-5-bromopyridin-2-one
CID 15395936
2-amino-1-benzylpyrrole-3,4-di(15N)carbonitrile
CID 101051404
5-(5-bromo-2-hydroxybenzoyl)-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 4036984
5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile
CID 82043796
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
3,5-dibenzyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57499766

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile (CID 130561396) is 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile is N#Cc1cc(Br)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile?
The InChIKey is DQMDRFDMZLYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-12-6-11(7-15)13(17)16(9-12)8-10-4-2-1-3-5-10/h1-6,9H,8H2.
What are the key properties of 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile?
1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 130561396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).