4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine

C7H6N2 — CID 175710631

IUPAC4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]c1cc([2H])c2cc[nH]c2n1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)/i2D,4D
InChIKeyMVXVYAKCVDQRLW-XRIVEGAOSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine

4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175710631) has the molecular formula C7H6N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine
PubChem CID175710631
Molecular FormulaC7H6N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]c1cc([2H])c2cc[nH]c2n1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)/i2D,4D
InChIKeyMVXVYAKCVDQRLW-XRIVEGAOSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine (CID 175710631) is 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine is [2H]c1cc([2H])c2cc[nH]c2n1.
What is the InChIKey of 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVXVYAKCVDQRLW-XRIVEGAOSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)/i2D,4D.
What are the key properties of 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine?
4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dideuterio-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175710631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).