9H-carbazole-2,3,6,7-tetrol

C12H9NO4 — CID 5328663

IUPAC9H-carbazole-2,3,6,7-tetrol
SMILESOc1cc2[nH]c3cc(O)c(O)cc3c2cc1O
InChIInChI=1S/C12H9NO4/c14-9-1-5-6-2-10(15)12(17)4-8(6)13-7(5)3-11(9)16/h1-4,13-17H
InChIKeyFDPROKUPPNAEQY-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.14
Rot. Bonds

About 9H-carbazole-2,3,6,7-tetrol

9H-carbazole-2,3,6,7-tetrol (PubChem CID 5328663) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 9H-carbazole-2,3,6,7-tetrol.

Molecular Properties

Compound Name9H-carbazole-2,3,6,7-tetrol
PubChem CID5328663
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name9H-carbazole-2,3,6,7-tetrol
SMILESOc1cc2[nH]c3cc(O)c(O)cc3c2cc1O
InChIInChI=1S/C12H9NO4/c14-9-1-5-6-2-10(15)12(17)4-8(6)13-7(5)3-11(9)16/h1-4,13-17H
InChIKeyFDPROKUPPNAEQY-UHFFFAOYSA-N
XLogP2.14
TPSA96.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-2,3,6,7-tetrol?
The IUPAC name of 9H-carbazole-2,3,6,7-tetrol (CID 5328663) is 9H-carbazole-2,3,6,7-tetrol.
What is the SMILES notation for 9H-carbazole-2,3,6,7-tetrol?
The canonical SMILES for 9H-carbazole-2,3,6,7-tetrol is Oc1cc2[nH]c3cc(O)c(O)cc3c2cc1O.
What is the InChIKey of 9H-carbazole-2,3,6,7-tetrol?
The InChIKey is FDPROKUPPNAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-9-1-5-6-2-10(15)12(17)4-8(6)13-7(5)3-11(9)16/h1-4,13-17H.
What are the key properties of 9H-carbazole-2,3,6,7-tetrol?
9H-carbazole-2,3,6,7-tetrol has a molecular weight of 231.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-2,3,6,7-tetrol is sourced from PubChem (CID 5328663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).