(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea

C9H6Br2N4O2 — CID 1124777

IUPAC(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea
SMILESNC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C9H6Br2N4O2/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17/h1-2,13,16H,(H2,12,17)/b15-14+
InChIKeyNGCWNYFZJSMJDC-CCEZHUSRSA-N
MW361.98 g/mol
LogP3.56
Rot. Bonds1

About (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea

(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea (PubChem CID 1124777) has the molecular formula C9H6Br2N4O2 and a molecular weight of 361.98 g/mol. Its IUPAC name is (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea.

Molecular Properties

Compound Name(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea
PubChem CID1124777
Molecular FormulaC9H6Br2N4O2
Molecular Weight361.98 g/mol
Exact Mass359.89
IUPAC Name(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea
SMILESNC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C9H6Br2N4O2/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17/h1-2,13,16H,(H2,12,17)/b15-14+
InChIKeyNGCWNYFZJSMJDC-CCEZHUSRSA-N
XLogP3.56
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.98
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea?
The IUPAC name of (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea (CID 1124777) is (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea.
What is the SMILES notation for (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea?
The canonical SMILES for (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea is NC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea?
The InChIKey is NGCWNYFZJSMJDC-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H6Br2N4O2/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17/h1-2,13,16H,(H2,12,17)/b15-14+.
What are the key properties of (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea?
(5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea has a molecular weight of 361.98 g/mol, XLogP of 3.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromo-2-hydroxy-1H-indol-3-yl)iminourea is sourced from PubChem (CID 1124777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).