2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine

C13H13FN4O — CID 18667501

IUPAC2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine
SMILESCOc1ccnc(-c2ccc(F)c(N=C(N)N)c2)c1
InChIInChI=1S/C13H13FN4O/c1-19-9-4-5-17-11(7-9)8-2-3-10(14)12(6-8)18-13(15)16/h2-7H,1H3,(H4,15,16,18)
InChIKeyILFZZANVTVOVAJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.80
Rot. Bonds3

About 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine

2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine (PubChem CID 18667501) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine
PubChem CID18667501
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine
SMILESCOc1ccnc(-c2ccc(F)c(N=C(N)N)c2)c1
InChIInChI=1S/C13H13FN4O/c1-19-9-4-5-17-11(7-9)8-2-3-10(14)12(6-8)18-13(15)16/h2-7H,1H3,(H4,15,16,18)
InChIKeyILFZZANVTVOVAJ-UHFFFAOYSA-N
XLogP1.80
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine?
The IUPAC name of 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine (CID 18667501) is 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine.
What is the SMILES notation for 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine?
The canonical SMILES for 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine is COc1ccnc(-c2ccc(F)c(N=C(N)N)c2)c1.
What is the InChIKey of 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine?
The InChIKey is ILFZZANVTVOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-19-9-4-5-17-11(7-9)8-2-3-10(14)12(6-8)18-13(15)16/h2-7H,1H3,(H4,15,16,18).
What are the key properties of 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine?
2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine has a molecular weight of 260.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]guanidine is sourced from PubChem (CID 18667501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).