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

C13H12BrN3O2 — CID 104707813

IUPAC2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-18-9-2-3-11(10(14)7-9)19-12-6-8(13(15)16)4-5-17-12/h2-7H,1H3,(H3,15,16)
InChIKeyKLUCNCUSBJAEJC-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.93
Rot. Bonds4

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

2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide (PubChem CID 104707813) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
PubChem CID104707813
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-18-9-2-3-11(10(14)7-9)19-12-6-8(13(15)16)4-5-17-12/h2-7H,1H3,(H3,15,16)
InChIKeyKLUCNCUSBJAEJC-UHFFFAOYSA-N
XLogP2.93
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
CID 24702895
2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
CID 43123451
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 104707795

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide (CID 104707813) is 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide?
The InChIKey is KLUCNCUSBJAEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-18-9-2-3-11(10(14)7-9)19-12-6-8(13(15)16)4-5-17-12/h2-7H,1H3,(H3,15,16).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide?
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide has a molecular weight of 322.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 104707813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).