2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine

C13H13FN4O — CID 110915439

IUPAC2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C13H13FN4O/c14-10-4-1-5-11(7-10)19-12-9(3-2-6-17-12)8-18-13(15)16/h1-7H,8H2,(H4,15,16,18)
InChIKeyUJVZDVJKGALHDY-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.79
Rot. Bonds4

About 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine

2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 110915439) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
PubChem CID110915439
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C13H13FN4O/c14-10-4-1-5-11(7-10)19-12-9(3-2-6-17-12)8-18-13(15)16/h1-7H,8H2,(H4,15,16,18)
InChIKeyUJVZDVJKGALHDY-UHFFFAOYSA-N
XLogP1.79
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111051444
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111051409
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111051478
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111051426
1-butyl-3-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111150673
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111598486
1-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343653
2-(3-fluorophenoxy)pyridin-3-ol
CID 23506270
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111051460
1-(3-ethoxypropyl)-3-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111224816
1-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404060
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine (CID 110915439) is 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine is NC(N)=NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is UJVZDVJKGALHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-10-4-1-5-11(7-10)19-12-9(3-2-6-17-12)8-18-13(15)16/h1-7H,8H2,(H4,15,16,18).
What are the key properties of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine?
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 260.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 110915439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).