4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide

C9H8FN3O — CID 72506348

IUPAC4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
SMILESNC(=NO)c1ccc(F)c2cc[nH]c12
InChIInChI=1S/C9H8FN3O/c10-7-2-1-6(9(11)13-14)8-5(7)3-4-12-8/h1-4,12,14H,(H2,11,13)
InChIKeySANMALMANFFEDD-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.40
Rot. Bonds1

About 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide

4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide (PubChem CID 72506348) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
PubChem CID72506348
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
SMILESNC(=NO)c1ccc(F)c2cc[nH]c12
InChIInChI=1S/C9H8FN3O/c10-7-2-1-6(9(11)13-14)8-5(7)3-4-12-8/h1-4,12,14H,(H2,11,13)
InChIKeySANMALMANFFEDD-UHFFFAOYSA-N
XLogP1.40
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.40
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-1H-indol-7-yl)ethanone
CID 18519733
2-[(4-fluoro-1H-indol-7-yl)methylideneamino]guanidine
CID 168591393
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
ethyl 3-[4-(N'-hydroxycarbamimidoyl)-1H-indol-7-yl]propanoate
CID 149163527
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
CID 91134081
(7-fluoro-1H-indol-4-yl)boronic acid
CID 119085742
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
3-fluoro-N'-hydroxy-2-methylbenzenecarboximidamide
CID 130647799
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide?
The IUPAC name of 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide (CID 72506348) is 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide.
What is the SMILES notation for 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide?
The canonical SMILES for 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide is NC(=NO)c1ccc(F)c2cc[nH]c12.
What is the InChIKey of 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide?
The InChIKey is SANMALMANFFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-2-1-6(9(11)13-14)8-5(7)3-4-12-8/h1-4,12,14H,(H2,11,13).
What are the key properties of 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide?
4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide has a molecular weight of 193.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide is sourced from PubChem (CID 72506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).