1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide

C11H18FIN4 — CID 119164279

IUPAC1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(F)cn1.I
InChIInChI=1S/C11H17FN4.HI/c1-11(2,3)16-10(13)15-7-9-5-4-8(12)6-14-9;/h4-6H,7H2,1-3H3,(H3,13,15,16);1H
InChIKeyVKDVYIJWLRPKPY-UHFFFAOYSA-N
MW352.20 g/mol
LogP2.04
Rot. Bonds2

About 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 119164279) has the molecular formula C11H18FIN4 and a molecular weight of 352.20 g/mol. Its IUPAC name is 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID119164279
Molecular FormulaC11H18FIN4
Molecular Weight352.20 g/mol
Exact Mass352.06
IUPAC Name1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(F)cn1.I
InChIInChI=1S/C11H17FN4.HI/c1-11(2,3)16-10(13)15-7-9-5-4-8(12)6-14-9;/h4-6H,7H2,1-3H3,(H3,13,15,16);1H
InChIKeyVKDVYIJWLRPKPY-UHFFFAOYSA-N
XLogP2.04
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide (CID 119164279) is 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide is CC(C)(C)N/C(N)=N/Cc1ccc(F)cn1.I.
What is the InChIKey of 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is VKDVYIJWLRPKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4.HI/c1-11(2,3)16-10(13)15-7-9-5-4-8(12)6-14-9;/h4-6H,7H2,1-3H3,(H3,13,15,16);1H.
What are the key properties of 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 352.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119164279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).