3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride

C6H4ClFN2O — CID 137193825

IUPAC3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride
SMILESON=C(Cl)c1ccncc1F
InChIInChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-2-9-3-5(4)8/h1-3,11H
InChIKeyNFNBHOIZRRFSKF-UHFFFAOYSA-N
MW174.56 g/mol
LogP1.60
Rot. Bonds1

About 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride

3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride (PubChem CID 137193825) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride.

Molecular Properties

Compound Name3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride
PubChem CID137193825
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride
SMILESON=C(Cl)c1ccncc1F
InChIInChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-2-9-3-5(4)8/h1-3,11H
InChIKeyNFNBHOIZRRFSKF-UHFFFAOYSA-N
XLogP1.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 51.60
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

N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
CID 137005773
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506140
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120659128

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride?
The IUPAC name of 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride (CID 137193825) is 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride.
What is the SMILES notation for 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride?
The canonical SMILES for 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride is ON=C(Cl)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride?
The InChIKey is NFNBHOIZRRFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-2-9-3-5(4)8/h1-3,11H.
What are the key properties of 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride?
3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride has a molecular weight of 174.56 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride is sourced from PubChem (CID 137193825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).