2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid

C13H15FN2O3 — CID 114037536

IUPAC2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cccnc2F)CC1
InChIInChI=1S/C13H15FN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyOJOTXQOIIPNOQT-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 114037536) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID114037536
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cccnc2F)CC1
InChIInChI=1S/C13H15FN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyOJOTXQOIIPNOQT-UHFFFAOYSA-N
XLogP1.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 79614807
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-pyridinyl)methanone
CID 114037863
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid (CID 114037536) is 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cccnc2F)CC1.
What is the InChIKey of 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is OJOTXQOIIPNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18).
What are the key properties of 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 266.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 114037536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).