1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid

C13H17FN2O3 — CID 137450775

IUPAC1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19)
InChIKeyNZNIJYWLJYZEQH-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.15
Rot. Bonds4

About 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid

1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 137450775) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID137450775
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19)
InChIKeyNZNIJYWLJYZEQH-UHFFFAOYSA-N
XLogP1.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137450339
1-[1-(2-Fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 137450508
Methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450512
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 137450692
1-(3-Fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 137450743
Methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450745
Methyl 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylate
CID 137450781
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 137450862
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137457786
methyl 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylate
CID 137457790
methyl 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 139383848

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid (CID 137450775) is 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C2CCCN(CCF)C2)c1=O.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is NZNIJYWLJYZEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19).
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).