5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide

C8H8BrN3O2 — CID 146508227

IUPAC5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide
SMILESNC(N)=NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O2/c9-4-1-2-6(13)5(3-4)7(14)12-8(10)11/h1-3,13H,(H4,10,11,12,14)
InChIKeyLNFWUWHUGNIVDN-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.57
Rot. Bonds1

About 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide

5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide (PubChem CID 146508227) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide
PubChem CID146508227
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide
SMILESNC(N)=NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O2/c9-4-1-2-6(13)5(3-4)7(14)12-8(10)11/h1-3,13H,(H4,10,11,12,14)
InChIKeyLNFWUWHUGNIVDN-UHFFFAOYSA-N
XLogP0.57
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide (CID 146508227) is 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide is NC(N)=NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide?
The InChIKey is LNFWUWHUGNIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-4-1-2-6(13)5(3-4)7(14)12-8(10)11/h1-3,13H,(H4,10,11,12,14).
What are the key properties of 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide?
5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide has a molecular weight of 258.07 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(diaminomethylidene)-2-hydroxybenzamide is sourced from PubChem (CID 146508227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).