3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide

C12H9ClFN3O — CID 107060457

IUPAC3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc(F)c2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-10-9(11(15)16)4-5-17-12(10)18-8-3-1-2-7(14)6-8/h1-6H,(H3,15,16)
InChIKeyAHYBFSPUOSFBEF-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide

3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide (PubChem CID 107060457) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
PubChem CID107060457
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc(F)c2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-10-9(11(15)16)4-5-17-12(10)18-8-3-1-2-7(14)6-8/h1-6H,(H3,15,16)
InChIKeyAHYBFSPUOSFBEF-UHFFFAOYSA-N
XLogP2.95
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
5-chloro-2-(3-fluorophenoxy)pyridine-3-carboxamide
CID 141112034
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide (CID 107060457) is 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cccc(F)c2)c1Cl.
What is the InChIKey of 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide?
The InChIKey is AHYBFSPUOSFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-10-9(11(15)16)4-5-17-12(10)18-8-3-1-2-7(14)6-8/h1-6H,(H3,15,16).
What are the key properties of 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide?
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide has a molecular weight of 265.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).