4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide

C14H13FN4O — CID 136750424

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(N2CCc3ccc(F)cc32)ccn1
InChIInChI=1S/C14H13FN4O/c15-10-2-1-9-4-6-19(13(9)7-10)11-3-5-17-12(8-11)14(16)18-20/h1-3,5,7-8,20H,4,6H2,(H2,16,18)
InChIKeyJROHHZFVFROBSC-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.01
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136750424) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136750424
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(N2CCc3ccc(F)cc32)ccn1
InChIInChI=1S/C14H13FN4O/c15-10-2-1-9-4-6-19(13(9)7-10)11-3-5-17-12(8-11)14(16)18-20/h1-3,5,7-8,20H,4,6H2,(H2,16,18)
InChIKeyJROHHZFVFROBSC-UHFFFAOYSA-N
XLogP2.01
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136980807
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 103495649
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
1-[5-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]propan-1-ol
CID 103498405
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136750424) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(N2CCc3ccc(F)cc32)ccn1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is JROHHZFVFROBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-10-2-1-9-4-6-19(13(9)7-10)11-3-5-17-12(8-11)14(16)18-20/h1-3,5,7-8,20H,4,6H2,(H2,16,18).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 272.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).