6-aminobenzene-1,2,3,4,5-pentol

C6H7NO5 — CID 130443728

IUPAC6-aminobenzene-1,2,3,4,5-pentol
SMILESNc1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C6H7NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h8-12H,7H2
InChIKeyGABCWWWSYKJZRK-UHFFFAOYSA-N
MW173.12 g/mol
LogP-0.20
Rot. Bonds

About 6-aminobenzene-1,2,3,4,5-pentol

6-aminobenzene-1,2,3,4,5-pentol (PubChem CID 130443728) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is 6-aminobenzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-aminobenzene-1,2,3,4,5-pentol
PubChem CID130443728
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name6-aminobenzene-1,2,3,4,5-pentol
SMILESNc1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C6H7NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h8-12H,7H2
InChIKeyGABCWWWSYKJZRK-UHFFFAOYSA-N
XLogP-0.20
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500173.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminobenzene-1,2,3,4,5-pentol?
The IUPAC name of 6-aminobenzene-1,2,3,4,5-pentol (CID 130443728) is 6-aminobenzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-aminobenzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-aminobenzene-1,2,3,4,5-pentol is Nc1c(O)c(O)c(O)c(O)c1O.
What is the InChIKey of 6-aminobenzene-1,2,3,4,5-pentol?
The InChIKey is GABCWWWSYKJZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h8-12H,7H2.
What are the key properties of 6-aminobenzene-1,2,3,4,5-pentol?
6-aminobenzene-1,2,3,4,5-pentol has a molecular weight of 173.12 g/mol, XLogP of -0.20, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminobenzene-1,2,3,4,5-pentol is sourced from PubChem (CID 130443728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).