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

C12H9BrFN3O — CID 43123451

IUPAC2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(15)16)3-4-17-11/h1-6H,(H3,15,16)
InChIKeySOWOZXNHBQSNMO-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.06
Rot. Bonds3

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

2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide (PubChem CID 43123451) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
PubChem CID43123451
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(15)16)3-4-17-11/h1-6H,(H3,15,16)
InChIKeySOWOZXNHBQSNMO-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

2-(4-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 43123431
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813
2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
CID 24702895
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide
CID 102722319
2-(4-bromo-2-chlorophenoxy)pyridine-4-carbothioamide
CID 28893016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide (CID 43123451) is 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide?
The InChIKey is SOWOZXNHBQSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(15)16)3-4-17-11/h1-6H,(H3,15,16).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide?
2-(4-bromo-2-fluorophenoxy)pyridine-4-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 2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 43123451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).