2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol

C18H19FN2O2 — CID 74420582

IUPAC2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol
SMILESCNc1ccc(C#Cc2ccc(OCC(CO)CF)nc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-20-17-7-4-14(5-8-17)2-3-15-6-9-18(21-11-15)23-13-16(10-19)12-22/h4-9,11,16,20,22H,10,12-13H2,1H3
InChIKeyIPQPIVDQLXKXPK-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.48
Rot. Bonds6

About 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol

2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol (PubChem CID 74420582) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol
PubChem CID74420582
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol
SMILESCNc1ccc(C#Cc2ccc(OCC(CO)CF)nc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-20-17-7-4-14(5-8-17)2-3-15-6-9-18(21-11-15)23-13-16(10-19)12-22/h4-9,11,16,20,22H,10,12-13H2,1H3
InChIKeyIPQPIVDQLXKXPK-UHFFFAOYSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol (CID 74420582) is 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol is CNc1ccc(C#Cc2ccc(OCC(CO)CF)nc2)cc1.
What is the InChIKey of 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is IPQPIVDQLXKXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-20-17-7-4-14(5-8-17)2-3-15-6-9-18(21-11-15)23-13-16(10-19)12-22/h4-9,11,16,20,22H,10,12-13H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol?
2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol has a molecular weight of 314.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-[[5-[2-[4-(methylamino)phenyl]ethynyl]-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 74420582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).