5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C13H17FN2O3 — CID 114034557

IUPAC5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1(C)CCCN(c2ncc(F)cc2C(=O)O)C1
InChIInChI=1S/C13H17FN2O3/c1-13(19-2)4-3-5-16(8-13)11-10(12(17)18)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyGFXJSCMOHYYWBC-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.92
Rot. Bonds3

About 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 114034557) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID114034557
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1(C)CCCN(c2ncc(F)cc2C(=O)O)C1
InChIInChI=1S/C13H17FN2O3/c1-13(19-2)4-3-5-16(8-13)11-10(12(17)18)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyGFXJSCMOHYYWBC-UHFFFAOYSA-N
XLogP1.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
CID 114034455
2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 107392995
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbenzoic acid
CID 107393006
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 107396489
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine
CID 126825767
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 114034557) is 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is COC1(C)CCCN(c2ncc(F)cc2C(=O)O)C1.
What is the InChIKey of 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GFXJSCMOHYYWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(19-2)4-3-5-16(8-13)11-10(12(17)18)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).