2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine

C10H10FN5 — CID 168591393

IUPAC2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)c2cc[nH]c12
InChIInChI=1S/C10H10FN5/c11-8-2-1-6(5-15-16-10(12)13)9-7(8)3-4-14-9/h1-5,14H,(H4,12,13,16)
InChIKeyIPPSZDXOBJQZHW-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.91
Rot. Bonds2

About 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine

2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine (PubChem CID 168591393) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine
PubChem CID168591393
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)c2cc[nH]c12
InChIInChI=1S/C10H10FN5/c11-8-2-1-6(5-15-16-10(12)13)9-7(8)3-4-14-9/h1-5,14H,(H4,12,13,16)
InChIKeyIPPSZDXOBJQZHW-UHFFFAOYSA-N
XLogP0.91
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine (CID 168591393) is 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(F)c2cc[nH]c12.
What is the InChIKey of 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine?
The InChIKey is IPPSZDXOBJQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-8-2-1-6(5-15-16-10(12)13)9-7(8)3-4-14-9/h1-5,14H,(H4,12,13,16).
What are the key properties of 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine?
2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine has a molecular weight of 219.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine is sourced from PubChem (CID 168591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).