6-deuterio-7H-indole

C8H7N — CID 175766156

IUPAC6-deuterio-7H-indole
SMILES[2H]C1=CC=C2C=CN=C2C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6H,4H2/i2D
InChIKeyQXPUBANOKZYTQC-VMNATFBRSA-N
MW118.16 g/mol
LogP1.84
Rot. Bonds

About 6-deuterio-7H-indole

6-deuterio-7H-indole (PubChem CID 175766156) has the molecular formula C8H7N and a molecular weight of 118.16 g/mol. Its IUPAC name is 6-deuterio-7H-indole.

Molecular Properties

Compound Name6-deuterio-7H-indole
PubChem CID175766156
Molecular FormulaC8H7N
Molecular Weight118.16 g/mol
Exact Mass118.06
IUPAC Name6-deuterio-7H-indole
SMILES[2H]C1=CC=C2C=CN=C2C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6H,4H2/i2D
InChIKeyQXPUBANOKZYTQC-VMNATFBRSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-7H-indole?
The IUPAC name of 6-deuterio-7H-indole (CID 175766156) is 6-deuterio-7H-indole.
What is the SMILES notation for 6-deuterio-7H-indole?
The canonical SMILES for 6-deuterio-7H-indole is [2H]C1=CC=C2C=CN=C2C1.
What is the InChIKey of 6-deuterio-7H-indole?
The InChIKey is QXPUBANOKZYTQC-VMNATFBRSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6H,4H2/i2D.
What are the key properties of 6-deuterio-7H-indole?
6-deuterio-7H-indole has a molecular weight of 118.16 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-7H-indole is sourced from PubChem (CID 175766156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).