propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate

C9H10BrNO3 — CID 133056794

IUPACpropan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C9H10BrNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12)
InChIKeyKDXCTAIDPMXYOA-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.70
Rot. Bonds2

About propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate

propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133056794) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133056794
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namepropan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C9H10BrNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12)
InChIKeyKDXCTAIDPMXYOA-UHFFFAOYSA-N
XLogP1.70
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-oxo-1H-pyridine-3-carboxylic acid;tert-butyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159330570
methyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate;methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159612012
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
CID 119862463
propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
CID 133054467
propan-2-yl 4-bromo-2-ethylbenzoate
CID 22568988
propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
CID 50923065
CID 50923065
propan-2-yl 3-bromo-2-(bromomethyl)-5-hydroxybenzoate
CID 133061604
propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
propan-2-yl 4-bromo-1-methylthiophen-1-ium-2-carboxylate
CID 172813446
propan-2-yl 4-chloro-1H-pyrrole-2-carboxylate
CID 112723005

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate (CID 133056794) is propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate is CC(C)OC(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KDXCTAIDPMXYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate?
propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133056794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).