(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine

C19H19ClFN3O2 — CID 127028185

IUPAC(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine
SMILESFc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
InChIInChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
InChIKeyFKVYTXSHXQFEOI-HNNXBMFYSA-N
MW375.83 g/mol
LogP3.64
Rot. Bonds5

About (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine

(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine (PubChem CID 127028185) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine
PubChem CID127028185
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine
SMILESFc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
InChIInChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
InChIKeyFKVYTXSHXQFEOI-HNNXBMFYSA-N
XLogP3.64
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine (CID 127028185) is (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine is Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1.
What is the InChIKey of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine?
The InChIKey is FKVYTXSHXQFEOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine?
(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine has a molecular weight of 375.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]-4-[(6-fluoro-1H-indol-3-yl)methyl]morpholine is sourced from PubChem (CID 127028185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).