5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid

C9H8BrNO3 — CID 82665410

IUPAC5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cn(C2CC2)c1=O
InChIInChI=1S/C9H8BrNO3/c10-5-3-7(9(13)14)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyQQKLGBQPJMUBSI-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.64
Rot. Bonds2

About 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid

5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82665410) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
PubChem CID82665410
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cn(C2CC2)c1=O
InChIInChI=1S/C9H8BrNO3/c10-5-3-7(9(13)14)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyQQKLGBQPJMUBSI-UHFFFAOYSA-N
XLogP1.64
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid (CID 82665410) is 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid is O=C(O)c1cc(Br)cn(C2CC2)c1=O.
What is the InChIKey of 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is QQKLGBQPJMUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-5-3-7(9(13)14)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,13,14).
What are the key properties of 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 258.07 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82665410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).