[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone

C18H15FN2O2 — CID 70789081

IUPAC[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-6-17-7-5-15(13-20-17)18(22)21-8-10-23-11-9-21/h1-3,5,7,12-13H,8-11H2
InChIKeyKIANASYTQKOCTL-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.09
Rot. Bonds1

About [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 70789081) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID70789081
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-6-17-7-5-15(13-20-17)18(22)21-8-10-23-11-9-21/h1-3,5,7,12-13H,8-11H2
InChIKeyKIANASYTQKOCTL-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 70789081) is [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is KIANASYTQKOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-6-17-7-5-15(13-20-17)18(22)21-8-10-23-11-9-21/h1-3,5,7,12-13H,8-11H2.
What are the key properties of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 310.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70789081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).