[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride

C15H18Cl2FN3O — CID 68780926

IUPAC[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(COc2cnc(F)c(-c3ccncc3)c2)CC1
InChIInChI=1S/C15H16FN3O.2ClH/c16-14-13(11-1-5-18-6-2-11)7-12(8-19-14)20-10-15(9-17)3-4-15;;/h1-2,5-8H,3-4,9-10,17H2;2*1H
InChIKeyWMRBNJPFYFUFPZ-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.24
Rot. Bonds5

About [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride

[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride (PubChem CID 68780926) has the molecular formula C15H18Cl2FN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride
PubChem CID68780926
Molecular FormulaC15H18Cl2FN3O
Molecular Weight346.23 g/mol
Exact Mass345.08
IUPAC Name[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(COc2cnc(F)c(-c3ccncc3)c2)CC1
InChIInChI=1S/C15H16FN3O.2ClH/c16-14-13(11-1-5-18-6-2-11)7-12(8-19-14)20-10-15(9-17)3-4-15;;/h1-2,5-8H,3-4,9-10,17H2;2*1H
InChIKeyWMRBNJPFYFUFPZ-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride 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 [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride?
The IUPAC name of [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride (CID 68780926) is [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride?
The canonical SMILES for [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride is Cl.Cl.NCC1(COc2cnc(F)c(-c3ccncc3)c2)CC1.
What is the InChIKey of [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride?
The InChIKey is WMRBNJPFYFUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O.2ClH/c16-14-13(11-1-5-18-6-2-11)7-12(8-19-14)20-10-15(9-17)3-4-15;;/h1-2,5-8H,3-4,9-10,17H2;2*1H.
What are the key properties of [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride?
[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride has a molecular weight of 346.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride is sourced from PubChem (CID 68780926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).