1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile

C11H12FN3O — CID 86641933

IUPAC1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(O)CCN(c2ncccc2F)CC1
InChIInChI=1S/C11H12FN3O/c12-9-2-1-5-14-10(9)15-6-3-11(16,8-13)4-7-15/h1-2,5,16H,3-4,6-7H2
InChIKeyRRRWJORUDZSIKT-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.08
Rot. Bonds1

About 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile

1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile (PubChem CID 86641933) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile
PubChem CID86641933
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(O)CCN(c2ncccc2F)CC1
InChIInChI=1S/C11H12FN3O/c12-9-2-1-5-14-10(9)15-6-3-11(16,8-13)4-7-15/h1-2,5,16H,3-4,6-7H2
InChIKeyRRRWJORUDZSIKT-UHFFFAOYSA-N
XLogP1.08
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile (CID 86641933) is 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile is N#CC1(O)CCN(c2ncccc2F)CC1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile?
The InChIKey is RRRWJORUDZSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-2-1-5-14-10(9)15-6-3-11(16,8-13)4-7-15/h1-2,5,16H,3-4,6-7H2.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile?
1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile is sourced from PubChem (CID 86641933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).