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

C12H9ClFN3O — CID 82716806

IUPAC2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H9ClFN3O/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)16)2-1-5-17-12/h1-6H,(H3,15,16)
InChIKeyUEQZOGBKYKVFIX-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.95
Rot. Bonds3

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

2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide (PubChem CID 82716806) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
PubChem CID82716806
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H9ClFN3O/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)16)2-1-5-17-12/h1-6H,(H3,15,16)
InChIKeyUEQZOGBKYKVFIX-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

2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 82253649
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide (CID 82716806) is 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is UEQZOGBKYKVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)16)2-1-5-17-12/h1-6H,(H3,15,16).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide?
2-(4-chloro-3-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 2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 82716806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).