1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C18H18FNO4 — CID 58067660

IUPAC1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc(F)cc3)CCCC2)cc(O)c1=O
InChIInChI=1S/C18H18FNO4/c19-13-5-3-12(4-6-13)18(7-1-2-8-18)11-20-9-14(17(23)24)16(22)15(21)10-20/h3-6,9-10,21H,1-2,7-8,11H2,(H,23,24)
InChIKeyXRMQEKAUZSCVPA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.90
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067660) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067660
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc(F)cc3)CCCC2)cc(O)c1=O
InChIInChI=1S/C18H18FNO4/c19-13-5-3-12(4-6-13)18(7-1-2-8-18)11-20-9-14(17(23)24)16(22)15(21)10-20/h3-6,9-10,21H,1-2,7-8,11H2,(H,23,24)
InChIKeyXRMQEKAUZSCVPA-UHFFFAOYSA-N
XLogP2.90
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067660) is 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccc(F)cc3)CCCC2)cc(O)c1=O.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is XRMQEKAUZSCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-13-5-3-12(4-6-13)18(7-1-2-8-18)11-20-9-14(17(23)24)16(22)15(21)10-20/h3-6,9-10,21H,1-2,7-8,11H2,(H,23,24).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).