N-(6-bromo-2-hydroxy-3-iodophenyl)formamide

C7H5BrINO2 — CID 168654465

IUPACN-(6-bromo-2-hydroxy-3-iodophenyl)formamide
SMILESO=CNc1c(Br)ccc(I)c1O
InChIInChI=1S/C7H5BrINO2/c8-4-1-2-5(9)7(12)6(4)10-3-11/h1-3,12H,(H,10,11)
InChIKeyRDQSTLFBQUKXPO-UHFFFAOYSA-N
MW341.93 g/mol
LogP2.33
Rot. Bonds2

About N-(6-bromo-2-hydroxy-3-iodophenyl)formamide

N-(6-bromo-2-hydroxy-3-iodophenyl)formamide (PubChem CID 168654465) has the molecular formula C7H5BrINO2 and a molecular weight of 341.93 g/mol. Its IUPAC name is N-(6-bromo-2-hydroxy-3-iodophenyl)formamide.

Molecular Properties

Compound NameN-(6-bromo-2-hydroxy-3-iodophenyl)formamide
PubChem CID168654465
Molecular FormulaC7H5BrINO2
Molecular Weight341.93 g/mol
Exact Mass340.85
IUPAC NameN-(6-bromo-2-hydroxy-3-iodophenyl)formamide
SMILESO=CNc1c(Br)ccc(I)c1O
InChIInChI=1S/C7H5BrINO2/c8-4-1-2-5(9)7(12)6(4)10-3-11/h1-3,12H,(H,10,11)
InChIKeyRDQSTLFBQUKXPO-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-hydroxy-3-iodophenyl)formamide?
The IUPAC name of N-(6-bromo-2-hydroxy-3-iodophenyl)formamide (CID 168654465) is N-(6-bromo-2-hydroxy-3-iodophenyl)formamide.
What is the SMILES notation for N-(6-bromo-2-hydroxy-3-iodophenyl)formamide?
The canonical SMILES for N-(6-bromo-2-hydroxy-3-iodophenyl)formamide is O=CNc1c(Br)ccc(I)c1O.
What is the InChIKey of N-(6-bromo-2-hydroxy-3-iodophenyl)formamide?
The InChIKey is RDQSTLFBQUKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrINO2/c8-4-1-2-5(9)7(12)6(4)10-3-11/h1-3,12H,(H,10,11).
What are the key properties of N-(6-bromo-2-hydroxy-3-iodophenyl)formamide?
N-(6-bromo-2-hydroxy-3-iodophenyl)formamide has a molecular weight of 341.93 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-hydroxy-3-iodophenyl)formamide is sourced from PubChem (CID 168654465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).