2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

C13H10BrF2N3O2 — CID 136860120

IUPAC2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C13H10BrF2N3O2/c1-6-2-7(13(17)19-20)3-11(18-6)21-10-5-8(14)4-9(15)12(10)16/h2-5,20H,1H3,(H2,17,19)
InChIKeyGHSRBCFUWCYFMO-UHFFFAOYSA-N
MW358.14 g/mol
LogP3.32
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 136860120) has the molecular formula C13H10BrF2N3O2 and a molecular weight of 358.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID136860120
Molecular FormulaC13H10BrF2N3O2
Molecular Weight358.14 g/mol
Exact Mass356.99
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C13H10BrF2N3O2/c1-6-2-7(13(17)19-20)3-11(18-6)21-10-5-8(14)4-9(15)12(10)16/h2-5,20H,1H3,(H2,17,19)
InChIKeyGHSRBCFUWCYFMO-UHFFFAOYSA-N
XLogP3.32
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 136860120) is 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is GHSRBCFUWCYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O2/c1-6-2-7(13(17)19-20)3-11(18-6)21-10-5-8(14)4-9(15)12(10)16/h2-5,20H,1H3,(H2,17,19).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 358.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 136860120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).