2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide

C13H11BrN4O3 — CID 114769397

IUPAC2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cccc([N+](=O)[O-])c2Br)c1
InChIInChI=1S/C13H11BrN4O3/c1-7-5-8(13(15)16)6-11(17-7)21-10-4-2-3-9(12(10)14)18(19)20/h2-6H,1H3,(H3,15,16)
InChIKeyBWCITINJQHEWKV-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide

2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide (PubChem CID 114769397) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
PubChem CID114769397
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cccc([N+](=O)[O-])c2Br)c1
InChIInChI=1S/C13H11BrN4O3/c1-7-5-8(13(15)16)6-11(17-7)21-10-4-2-3-9(12(10)14)18(19)20/h2-6H,1H3,(H3,15,16)
InChIKeyBWCITINJQHEWKV-UHFFFAOYSA-N
XLogP3.14
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
CID 114769381
4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
CID 114904941
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
2-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769377
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
CID 113497819
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide (CID 114769397) is 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2cccc([N+](=O)[O-])c2Br)c1.
What is the InChIKey of 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide?
The InChIKey is BWCITINJQHEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c1-7-5-8(13(15)16)6-11(17-7)21-10-4-2-3-9(12(10)14)18(19)20/h2-6H,1H3,(H3,15,16).
What are the key properties of 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide?
2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide has a molecular weight of 351.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).