(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C11H13FN2O2 — CID 107300639

IUPAC(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H13FN2O2/c12-10-6-8(3-4-13-10)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeyNZNCZSUVFLGQNG-VIFPVBQESA-N
MW224.23 g/mol
LogP0.82
Rot. Bonds1

About (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107300639) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107300639
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H13FN2O2/c12-10-6-8(3-4-13-10)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeyNZNCZSUVFLGQNG-VIFPVBQESA-N
XLogP0.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.82
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-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
CID 68925735
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107300639) is (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1ccnc(F)c1)N1CCC[C@H](O)C1.
What is the InChIKey of (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NZNCZSUVFLGQNG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-6-8(3-4-13-10)11(16)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 224.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107300639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).