[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid

C10H9BrN2O4 — CID 174234373

IUPAC[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid
SMILESN#Cc1c(NC(=O)O)cc(Br)c(CCO)c1O
InChIInChI=1S/C10H9BrN2O4/c11-7-3-8(13-10(16)17)6(4-12)9(15)5(7)1-2-14/h3,13-15H,1-2H2,(H,16,17)
InChIKeyCSRAPEJJDFBTQJ-UHFFFAOYSA-N
MW301.10 g/mol
LogP1.65
Rot. Bonds3

About [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid

[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid (PubChem CID 174234373) has the molecular formula C10H9BrN2O4 and a molecular weight of 301.10 g/mol. Its IUPAC name is [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid
PubChem CID174234373
Molecular FormulaC10H9BrN2O4
Molecular Weight301.10 g/mol
Exact Mass299.97
IUPAC Name[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid
SMILESN#Cc1c(NC(=O)O)cc(Br)c(CCO)c1O
InChIInChI=1S/C10H9BrN2O4/c11-7-3-8(13-10(16)17)6(4-12)9(15)5(7)1-2-14/h3,13-15H,1-2H2,(H,16,17)
InChIKeyCSRAPEJJDFBTQJ-UHFFFAOYSA-N
XLogP1.65
TPSA113.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid?
The IUPAC name of [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid (CID 174234373) is [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid.
What is the SMILES notation for [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid?
The canonical SMILES for [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid is N#Cc1c(NC(=O)O)cc(Br)c(CCO)c1O.
What is the InChIKey of [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid?
The InChIKey is CSRAPEJJDFBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4/c11-7-3-8(13-10(16)17)6(4-12)9(15)5(7)1-2-14/h3,13-15H,1-2H2,(H,16,17).
What are the key properties of [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid?
[5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid has a molecular weight of 301.10 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-cyano-3-hydroxy-4-(2-hydroxyethyl)phenyl]carbamic acid is sourced from PubChem (CID 174234373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).