5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid

C9H10BrNO3 — CID 131629778

IUPAC5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1cc(Br)cc(C(=O)O)c1=O
InChIInChI=1S/C9H10BrNO3/c1-2-3-11-5-6(10)4-7(8(11)12)9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyOMCOUHKICICVIY-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.72
Rot. Bonds3

About 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid

5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid (PubChem CID 131629778) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
PubChem CID131629778
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1cc(Br)cc(C(=O)O)c1=O
InChIInChI=1S/C9H10BrNO3/c1-2-3-11-5-6(10)4-7(8(11)12)9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyOMCOUHKICICVIY-UHFFFAOYSA-N
XLogP1.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid (CID 131629778) is 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid is CCCn1cc(Br)cc(C(=O)O)c1=O.
What is the InChIKey of 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid?
The InChIKey is OMCOUHKICICVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-2-3-11-5-6(10)4-7(8(11)12)9(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid?
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 1.72, 3 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-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 131629778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).