3-(3-bromo-5-nitrophenoxy)propanimidamide

C9H10BrN3O3 — CID 103588762

IUPAC3-(3-bromo-5-nitrophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-7(13(14)15)5-8(4-6)16-2-1-9(11)12/h3-5H,1-2H2,(H3,11,12)
InChIKeyFGGBKIXSOPLCSJ-UHFFFAOYSA-N
MW288.10 g/mol
LogP2.06
Rot. Bonds5

About 3-(3-bromo-5-nitrophenoxy)propanimidamide

3-(3-bromo-5-nitrophenoxy)propanimidamide (PubChem CID 103588762) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 3-(3-bromo-5-nitrophenoxy)propanimidamide.

Molecular Properties

Compound Name3-(3-bromo-5-nitrophenoxy)propanimidamide
PubChem CID103588762
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name3-(3-bromo-5-nitrophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-7(13(14)15)5-8(4-6)16-2-1-9(11)12/h3-5H,1-2H2,(H3,11,12)
InChIKeyFGGBKIXSOPLCSJ-UHFFFAOYSA-N
XLogP2.06
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.06
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-bromo-5-nitrophenoxy)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
CID 103589292
2-amino-6-(3-bromo-5-nitrophenoxy)-2-methylhexanamide
CID 103589421
methyl 2-amino-4-(3-bromo-5-nitrophenoxy)butanoate
CID 103589399
4-[(3-bromo-5-nitrophenoxy)methyl]piperidin-4-ol
CID 103588693
5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
CID 62097780
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-nitrophenoxy)propanimidamide?
The IUPAC name of 3-(3-bromo-5-nitrophenoxy)propanimidamide (CID 103588762) is 3-(3-bromo-5-nitrophenoxy)propanimidamide.
What is the SMILES notation for 3-(3-bromo-5-nitrophenoxy)propanimidamide?
The canonical SMILES for 3-(3-bromo-5-nitrophenoxy)propanimidamide is [H]/N=C(\N)CCOc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-bromo-5-nitrophenoxy)propanimidamide?
The InChIKey is FGGBKIXSOPLCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-6-3-7(13(14)15)5-8(4-6)16-2-1-9(11)12/h3-5H,1-2H2,(H3,11,12).
What are the key properties of 3-(3-bromo-5-nitrophenoxy)propanimidamide?
3-(3-bromo-5-nitrophenoxy)propanimidamide has a molecular weight of 288.10 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-nitrophenoxy)propanimidamide is sourced from PubChem (CID 103588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).