6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide

C12H9ClFN3O — CID 54880716

IUPAC6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H9ClFN3O/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyYPGRUIIPZWTZIT-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.95
Rot. Bonds3

About 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide

6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide (PubChem CID 54880716) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
PubChem CID54880716
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H9ClFN3O/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyYPGRUIIPZWTZIT-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

6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide (CID 54880716) is 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(F)cc2Cl)nc1.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is YPGRUIIPZWTZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide?
6-(2-chloro-4-fluorophenoxy)pyridine-3-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 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 54880716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).