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

C12H9BrFN3O — CID 83234285

IUPAC3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O/c13-8-6-7(3-4-9(8)14)18-10-2-1-5-17-11(10)12(15)16/h1-6H,(H3,15,16)
InChIKeyIIAQKDDIEDURIH-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.06
Rot. Bonds3

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

3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide (PubChem CID 83234285) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
PubChem CID83234285
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O/c13-8-6-7(3-4-9(8)14)18-10-2-1-5-17-11(10)12(15)16/h1-6H,(H3,15,16)
InChIKeyIIAQKDDIEDURIH-UHFFFAOYSA-N
XLogP3.06
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.06
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-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 115402309
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-(3-bromo-4-fluorophenoxy)pyridine-3-sulfonamide
CID 112573154
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide (CID 83234285) is 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide?
The InChIKey is IIAQKDDIEDURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-8-6-7(3-4-9(8)14)18-10-2-1-5-17-11(10)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide?
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide has a molecular weight of 310.13 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 83234285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).