N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride

C7H8ClFN2O — CID 137005773

IUPACN-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)c1ccncc1F.Cl
InChIInChI=1S/C7H7FN2O.ClH/c1-5(10-11)6-2-3-9-4-7(6)8;/h2-4,11H,1H3;1H
InChIKeyYKSPYTFUCZGZAF-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.84
Rot. Bonds1

About N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride

N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride (PubChem CID 137005773) has the molecular formula C7H8ClFN2O and a molecular weight of 190.61 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
PubChem CID137005773
Molecular FormulaC7H8ClFN2O
Molecular Weight190.61 g/mol
Exact Mass190.03
IUPAC NameN-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)c1ccncc1F.Cl
InChIInChI=1S/C7H7FN2O.ClH/c1-5(10-11)6-2-3-9-4-7(6)8;/h2-4,11H,1H3;1H
InChIKeyYKSPYTFUCZGZAF-UHFFFAOYSA-N
XLogP1.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride
CID 137193825
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
CID 104737938
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455294
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-4-carboxamide
CID 77054805
2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 104737892
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 77054803
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride (CID 137005773) is N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride is CC(=NO)c1ccncc1F.Cl.
What is the InChIKey of N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride?
The InChIKey is YKSPYTFUCZGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O.ClH/c1-5(10-11)6-2-3-9-4-7(6)8;/h2-4,11H,1H3;1H.
What are the key properties of N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride?
N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride has a molecular weight of 190.61 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 137005773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).