5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

C14H12BrNO3 — CID 165416856

IUPAC5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cn(CCc2ccccc2)c1=O
InChIInChI=1S/C14H12BrNO3/c15-11-8-12(14(18)19)13(17)16(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyWXBYBEYBBGLJGX-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (PubChem CID 165416856) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
PubChem CID165416856
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cn(CCc2ccccc2)c1=O
InChIInChI=1S/C14H12BrNO3/c15-11-8-12(14(18)19)13(17)16(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyWXBYBEYBBGLJGX-UHFFFAOYSA-N
XLogP2.55
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 165416864
2-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 114333958
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-2-methylbenzene-1,3-dicarboxylic acid;ethyl 2-[1-(2-phenylethyl)indol-3-yl]acetate
CID 174313941
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
CID 130561396
3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
2-amino-7-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 90016532
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (CID 165416856) is 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cn(CCc2ccccc2)c1=O.
What is the InChIKey of 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The InChIKey is WXBYBEYBBGLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-11-8-12(14(18)19)13(17)16(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165416856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).