2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide

C11H14FIN4 — CID 111424482

IUPAC2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H13FN4.HI/c12-8-1-2-10-9(5-8)7(6-16-10)3-4-15-11(13)14;/h1-2,5-6,16H,3-4H2,(H4,13,14,15);1H
InChIKeyYNLDHWNLHYNTRP-UHFFFAOYSA-N
MW348.16 g/mol
LogP1.74
Rot. Bonds3

About 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide

2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111424482) has the molecular formula C11H14FIN4 and a molecular weight of 348.16 g/mol. Its IUPAC name is 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111424482
Molecular FormulaC11H14FIN4
Molecular Weight348.16 g/mol
Exact Mass348.02
IUPAC Name2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H13FN4.HI/c12-8-1-2-10-9(5-8)7(6-16-10)3-4-15-11(13)14;/h1-2,5-6,16H,3-4H2,(H4,13,14,15);1H
InChIKeyYNLDHWNLHYNTRP-UHFFFAOYSA-N
XLogP1.74
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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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Related Compounds

N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111802149
2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
CID 71510842
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 134604088
tert-butyl 4-[N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111802115
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
CID 111802162
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111788208
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 111424482) is 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide is I.NC(N)=NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is YNLDHWNLHYNTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4.HI/c12-8-1-2-10-9(5-8)7(6-16-10)3-4-15-11(13)14;/h1-2,5-6,16H,3-4H2,(H4,13,14,15);1H.
What are the key properties of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 348.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111424482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).