6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide

C12H9BrFN3O — CID 83235122

IUPAC6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-5-8(2-3-10(9)14)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyKRAKZMMCQZHARX-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.06
Rot. Bonds3

About 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide

6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide (PubChem CID 83235122) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
PubChem CID83235122
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-5-8(2-3-10(9)14)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyKRAKZMMCQZHARX-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

6-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide (CID 83235122) is 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)nc1.
What is the InChIKey of 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is KRAKZMMCQZHARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-9-5-8(2-3-10(9)14)18-11-4-1-7(6-17-11)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide?
6-(3-bromo-4-fluorophenoxy)pyridine-3-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 6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 83235122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).