2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol

C19H20FN3O2 — CID 171545767

IUPAC2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol
SMILESCOC1CCCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c(F)n2)C1
InChIInChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-5-15(19(20)22-18)17-10-12-9-13(24)4-6-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3
InChIKeyPEYXDAIOOSQCDA-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol

2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol (PubChem CID 171545767) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol
PubChem CID171545767
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol
SMILESCOC1CCCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c(F)n2)C1
InChIInChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-5-15(19(20)22-18)17-10-12-9-13(24)4-6-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3
InChIKeyPEYXDAIOOSQCDA-UHFFFAOYSA-N
XLogP3.69
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol?
The IUPAC name of 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol (CID 171545767) is 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol.
What is the SMILES notation for 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol?
The canonical SMILES for 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol is COC1CCCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c(F)n2)C1.
What is the InChIKey of 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol?
The InChIKey is PEYXDAIOOSQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-5-15(19(20)22-18)17-10-12-9-13(24)4-6-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3.
What are the key properties of 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol?
2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol has a molecular weight of 341.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol is sourced from PubChem (CID 171545767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).