methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate

C12H14BrNO3 — CID 15946267

IUPACmethyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C2CCCC2)c1
InChIInChI=1S/C12H14BrNO3/c1-17-12(16)8-6-10(13)11(15)14(7-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyLAZJHDKMMWVUHC-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.51
Rot. Bonds2

About methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate

methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate (PubChem CID 15946267) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate
PubChem CID15946267
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Namemethyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C2CCCC2)c1
InChIInChI=1S/C12H14BrNO3/c1-17-12(16)8-6-10(13)11(15)14(7-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyLAZJHDKMMWVUHC-UHFFFAOYSA-N
XLogP2.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate (CID 15946267) is methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)c(=O)n(C2CCCC2)c1.
What is the InChIKey of methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate?
The InChIKey is LAZJHDKMMWVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-17-12(16)8-6-10(13)11(15)14(7-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate?
methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate has a molecular weight of 300.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-cyclopentyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 15946267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).