2-(bromomethyl)-6-hydroxybenzamide

C8H8BrNO2 — CID 133057810

IUPAC2-(bromomethyl)-6-hydroxybenzamide
SMILESNC(=O)c1c(O)cccc1CBr
InChIInChI=1S/C8H8BrNO2/c9-4-5-2-1-3-6(11)7(5)8(10)12/h1-3,11H,4H2,(H2,10,12)
InChIKeyFIENLFNYRCXMNM-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.39
Rot. Bonds2

About 2-(bromomethyl)-6-hydroxybenzamide

2-(bromomethyl)-6-hydroxybenzamide (PubChem CID 133057810) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-(bromomethyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2-(bromomethyl)-6-hydroxybenzamide
PubChem CID133057810
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-(bromomethyl)-6-hydroxybenzamide
SMILESNC(=O)c1c(O)cccc1CBr
InChIInChI=1S/C8H8BrNO2/c9-4-5-2-1-3-6(11)7(5)8(10)12/h1-3,11H,4H2,(H2,10,12)
InChIKeyFIENLFNYRCXMNM-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-hydroxybenzamide?
The IUPAC name of 2-(bromomethyl)-6-hydroxybenzamide (CID 133057810) is 2-(bromomethyl)-6-hydroxybenzamide.
What is the SMILES notation for 2-(bromomethyl)-6-hydroxybenzamide?
The canonical SMILES for 2-(bromomethyl)-6-hydroxybenzamide is NC(=O)c1c(O)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-hydroxybenzamide?
The InChIKey is FIENLFNYRCXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-4-5-2-1-3-6(11)7(5)8(10)12/h1-3,11H,4H2,(H2,10,12).
What are the key properties of 2-(bromomethyl)-6-hydroxybenzamide?
2-(bromomethyl)-6-hydroxybenzamide has a molecular weight of 230.06 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-hydroxybenzamide is sourced from PubChem (CID 133057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).