N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide

C6H6FN3O — CID 118426677

IUPACN-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide
SMILES[H]/N=C/N(O)c1ccc(F)cn1
InChIInChI=1S/C6H6FN3O/c7-5-1-2-6(9-3-5)10(11)4-8/h1-4,8,11H/b8-4+
InChIKeyFFRNPGOJHFDMTE-XBXARRHUSA-N
MW155.13 g/mol
LogP1.02
Rot. Bonds2

About N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide

N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide (PubChem CID 118426677) has the molecular formula C6H6FN3O and a molecular weight of 155.13 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide
PubChem CID118426677
Molecular FormulaC6H6FN3O
Molecular Weight155.13 g/mol
Exact Mass155.05
IUPAC NameN-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide
SMILES[H]/N=C/N(O)c1ccc(F)cn1
InChIInChI=1S/C6H6FN3O/c7-5-1-2-6(9-3-5)10(11)4-8/h1-4,8,11H/b8-4+
InChIKeyFFRNPGOJHFDMTE-XBXARRHUSA-N
XLogP1.02
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide (CID 118426677) is N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide is [H]/N=C/N(O)c1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide?
The InChIKey is FFRNPGOJHFDMTE-XBXARRHUSA-N. The full InChI is InChI=1S/C6H6FN3O/c7-5-1-2-6(9-3-5)10(11)4-8/h1-4,8,11H/b8-4+.
What are the key properties of N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide?
N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide has a molecular weight of 155.13 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 118426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).