methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C12H15NO4 — CID 91608960

IUPACmethyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1C1CCCC1
InChIInChI=1S/C12H15NO4/c1-17-12(16)10-8(14)6-9(15)13-11(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHHQNQPYFKQPXHJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 91608960) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID91608960
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1C1CCCC1
InChIInChI=1S/C12H15NO4/c1-17-12(16)10-8(14)6-9(15)13-11(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHHQNQPYFKQPXHJ-UHFFFAOYSA-N
XLogP1.52
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 91608960) is methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(=O)[nH]c1C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HHQNQPYFKQPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-12(16)10-8(14)6-9(15)13-11(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 91608960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).