(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine

C6H5FN2O — CID 137006991

IUPAC(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C/c1cccc(F)n1
InChIInChI=1S/C6H5FN2O/c7-6-3-1-2-5(9-6)4-8-10/h1-4,10H/b8-4+
InChIKeyCAZKHGPQGPNEAE-XBXARRHUSA-N
MW140.12 g/mol
LogP1.03
Rot. Bonds1

About (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 137006991) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine
PubChem CID137006991
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C/c1cccc(F)n1
InChIInChI=1S/C6H5FN2O/c7-6-3-1-2-5(9-6)4-8-10/h1-4,10H/b8-4+
InChIKeyCAZKHGPQGPNEAE-XBXARRHUSA-N
XLogP1.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

Pralidoxime Chloride
CID 135445761
2,6-Lutidine
CID 7937
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Pralidoxime
CID 135398747
Pralidoxime Iodide
CID 135410029
syn-2-Pyridinealdoxime
CID 135423666
N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 4884
Pralidoxime cation, (Z)-
CID 135484646
2-Methylpyridine 1-oxide
CID 13602
2-Fluoropyridine
CID 9746
2,6-Dimethylpyridine N-oxide
CID 14083

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine (CID 137006991) is (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine is O/N=C/c1cccc(F)n1.
What is the InChIKey of (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is CAZKHGPQGPNEAE-XBXARRHUSA-N. The full InChI is InChI=1S/C6H5FN2O/c7-6-3-1-2-5(9-6)4-8-10/h1-4,10H/b8-4+.
What are the key properties of (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 140.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6-fluoro-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).