5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide

C10H13BrN2O — CID 137144897

IUPAC5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O/c1-2-5-13-10(12)8-6-7(11)3-4-9(8)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13)
InChIKeyIDXWDHVMHVRDJK-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.27
Rot. Bonds3

About 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide

5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide (PubChem CID 137144897) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide
PubChem CID137144897
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O/c1-2-5-13-10(12)8-6-7(11)3-4-9(8)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13)
InChIKeyIDXWDHVMHVRDJK-UHFFFAOYSA-N
XLogP2.27
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.27
H-Bond Donors ≤ 52
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-2-hydroxy-N'-propylbenzenecarboximidamide?
The IUPAC name of 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide (CID 137144897) is 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide?
The InChIKey is IDXWDHVMHVRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-5-13-10(12)8-6-7(11)3-4-9(8)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13).
What are the key properties of 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide?
5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide has a molecular weight of 257.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 137144897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).