4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

C13H11ClFN3O2 — CID 136952615

IUPAC4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C13H11ClFN3O2/c14-9-2-1-3-11(12(9)15)20-7-8-4-5-17-10(6-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyYTMCHPBQQWPCRR-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.55
Rot. Bonds4

About 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136952615) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136952615
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C13H11ClFN3O2/c14-9-2-1-3-11(12(9)15)20-7-8-4-5-17-10(6-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyYTMCHPBQQWPCRR-UHFFFAOYSA-N
XLogP2.55
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136987900
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]boronic acid
CID 116689837
4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687951
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
3-[(2-chloro-6-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83050359

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136952615) is 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(COc2cccc(Cl)c2F)ccn1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is YTMCHPBQQWPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-9-2-1-3-11(12(9)15)20-7-8-4-5-17-10(6-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18).
What are the key properties of 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 295.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).