3,5-dibromo-N',4-dihydroxybenzenecarboximidamide

C7H6Br2N2O2 — CID 135922656

IUPAC3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H6Br2N2O2/c8-4-1-3(7(10)11-13)2-5(9)6(4)12/h1-2,12-13H,(H2,10,11)
InChIKeyOZHZBVZXGAYUFT-UHFFFAOYSA-N
MW309.95 g/mol
LogP2.01
Rot. Bonds1

About 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide

3,5-dibromo-N',4-dihydroxybenzenecarboximidamide (PubChem CID 135922656) has the molecular formula C7H6Br2N2O2 and a molecular weight of 309.95 g/mol. Its IUPAC name is 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
PubChem CID135922656
Molecular FormulaC7H6Br2N2O2
Molecular Weight309.95 g/mol
Exact Mass307.88
IUPAC Name3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H6Br2N2O2/c8-4-1-3(7(10)11-13)2-5(9)6(4)12/h1-2,12-13H,(H2,10,11)
InChIKeyOZHZBVZXGAYUFT-UHFFFAOYSA-N
XLogP2.01
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3-bromo-N'-hydroxy-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 82800121
4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
CID 2735315
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
3-bromo-N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 112660033
3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide
CID 91375435

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide?
The IUPAC name of 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide (CID 135922656) is 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide?
The canonical SMILES for 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide?
The InChIKey is OZHZBVZXGAYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O2/c8-4-1-3(7(10)11-13)2-5(9)6(4)12/h1-2,12-13H,(H2,10,11).
What are the key properties of 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide?
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide has a molecular weight of 309.95 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N',4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 135922656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).