3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine

C7H5FN2 — CID 175994160

IUPAC3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)/i1D
InChIKeyBALBNSFYMXBWNM-MICDWDOJSA-N
MW137.14 g/mol
LogP1.70
Rot. Bonds

About 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine

3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175994160) has the molecular formula C7H5FN2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine
PubChem CID175994160
Molecular FormulaC7H5FN2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)/i1D
InChIKeyBALBNSFYMXBWNM-MICDWDOJSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine (CID 175994160) is 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine is [2H]c1c[nH]c2ncc(F)cc12.
What is the InChIKey of 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BALBNSFYMXBWNM-MICDWDOJSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)/i1D.
What are the key properties of 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 137.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175994160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).