N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine

C7H8FN2O+ — CID 136746111

IUPACN-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
SMILESC[n+]1ccc(C=NO)cc1F
InChIInChI=1S/C7H7FN2O/c1-10-3-2-6(5-9-11)4-7(10)8/h2-5H,1H3/p+1
InChIKeyJXWDZFJBRZGSOT-UHFFFAOYSA-O
MW155.15 g/mol
LogP0.46
Rot. Bonds1

About N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine

N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine (PubChem CID 136746111) has the molecular formula C7H8FN2O+ and a molecular weight of 155.15 g/mol. Its IUPAC name is N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
PubChem CID136746111
Molecular FormulaC7H8FN2O+
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC NameN-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
SMILESC[n+]1ccc(C=NO)cc1F
InChIInChI=1S/C7H7FN2O/c1-10-3-2-6(5-9-11)4-7(10)8/h2-5H,1H3/p+1
InChIKeyJXWDZFJBRZGSOT-UHFFFAOYSA-O
XLogP0.46
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 135603327
2,4-difluoro-1-methylpyridin-1-ium
CID 169211033
(NE)-N-[[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 146317491
(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
CID 71615683
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(NE)-N-[(1-ethylpyridin-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 137086779
(NZ)-N-[(3-fluoro-4-iodophenyl)methylidene]hydroxylamine
CID 87871003
(NE)-N-[[1-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine bromide
CID 137093036
ethyl 2-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-4-carboxylate
CID 135467733
4-(hydroxyiminomethyl)-2-methylbenzamide
CID 163209734
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826188

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine (CID 136746111) is N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine is C[n+]1ccc(C=NO)cc1F.
What is the InChIKey of N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine?
The InChIKey is JXWDZFJBRZGSOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7FN2O/c1-10-3-2-6(5-9-11)4-7(10)8/h2-5H,1H3/p+1.
What are the key properties of N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine?
N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine has a molecular weight of 155.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136746111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).