2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine

C11H12ClFN4 — CID 134604088

IUPAC2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1c[nH]c2cc(Cl)c(F)cc12
InChIInChI=1S/C11H12ClFN4/c12-8-4-10-7(3-9(8)13)6(5-17-10)1-2-16-11(14)15/h3-5,17H,1-2H2,(H4,14,15,16)
InChIKeyUOVAYVMJGUXWHE-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine

2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine (PubChem CID 134604088) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
PubChem CID134604088
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1c[nH]c2cc(Cl)c(F)cc12
InChIInChI=1S/C11H12ClFN4/c12-8-4-10-7(3-9(8)13)6(5-17-10)1-2-16-11(14)15/h3-5,17H,1-2H2,(H4,14,15,16)
InChIKeyUOVAYVMJGUXWHE-UHFFFAOYSA-N
XLogP1.78
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.78
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'}

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Related Compounds

2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596
2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
CID 71510842
1-(diaminomethylidene)-2-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250279
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
5,6-difluoro-3-(2-fluoroethyl)-1H-indole
CID 89153643
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
3-(4-chlorobutyl)-5,6-difluoro-1H-indole
CID 19438843
N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111802149
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine (CID 134604088) is 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine is NC(N)=NCCc1c[nH]c2cc(Cl)c(F)cc12.
What is the InChIKey of 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is UOVAYVMJGUXWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c12-8-4-10-7(3-9(8)13)6(5-17-10)1-2-16-11(14)15/h3-5,17H,1-2H2,(H4,14,15,16).
What are the key properties of 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine?
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 254.70 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 134604088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).