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

C13H12BrN3O — CID 83141115

IUPAC6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)18-12-5-2-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyOOMZRKYEFFDEQP-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.23
Rot. Bonds3

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

6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 83141115) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
PubChem CID83141115
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)18-12-5-2-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyOOMZRKYEFFDEQP-UHFFFAOYSA-N
XLogP3.23
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.23
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-carboximidamide
CID 83235122
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide (CID 83141115) is 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)nc1.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is OOMZRKYEFFDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)18-12-5-2-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16).
What are the key properties of 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide?
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide has a molecular weight of 306.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 83141115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).