3,4,6-tribromo-9H-carbazol-1-ol

C12H6Br3NO — CID 58248320

IUPAC3,4,6-tribromo-9H-carbazol-1-ol
SMILESOc1cc(Br)c(Br)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C12H6Br3NO/c13-5-1-2-8-6(3-5)10-11(15)7(14)4-9(17)12(10)16-8/h1-4,16-17H
InChIKeyNTAWWRWQYIBOON-UHFFFAOYSA-N
MW419.90 g/mol
LogP5.31
Rot. Bonds

About 3,4,6-tribromo-9H-carbazol-1-ol

3,4,6-tribromo-9H-carbazol-1-ol (PubChem CID 58248320) has the molecular formula C12H6Br3NO and a molecular weight of 419.90 g/mol. Its IUPAC name is 3,4,6-tribromo-9H-carbazol-1-ol.

Molecular Properties

Compound Name3,4,6-tribromo-9H-carbazol-1-ol
PubChem CID58248320
Molecular FormulaC12H6Br3NO
Molecular Weight419.90 g/mol
Exact Mass416.80
IUPAC Name3,4,6-tribromo-9H-carbazol-1-ol
SMILESOc1cc(Br)c(Br)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C12H6Br3NO/c13-5-1-2-8-6(3-5)10-11(15)7(14)4-9(17)12(10)16-8/h1-4,16-17H
InChIKeyNTAWWRWQYIBOON-UHFFFAOYSA-N
XLogP5.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.90
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-tribromo-9H-carbazol-1-ol?
The IUPAC name of 3,4,6-tribromo-9H-carbazol-1-ol (CID 58248320) is 3,4,6-tribromo-9H-carbazol-1-ol.
What is the SMILES notation for 3,4,6-tribromo-9H-carbazol-1-ol?
The canonical SMILES for 3,4,6-tribromo-9H-carbazol-1-ol is Oc1cc(Br)c(Br)c2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 3,4,6-tribromo-9H-carbazol-1-ol?
The InChIKey is NTAWWRWQYIBOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br3NO/c13-5-1-2-8-6(3-5)10-11(15)7(14)4-9(17)12(10)16-8/h1-4,16-17H.
What are the key properties of 3,4,6-tribromo-9H-carbazol-1-ol?
3,4,6-tribromo-9H-carbazol-1-ol has a molecular weight of 419.90 g/mol, XLogP of 5.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tribromo-9H-carbazol-1-ol is sourced from PubChem (CID 58248320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).