hydron;2H-pyrrolo[3,4-b]pyridine

C7H7N2+ — CID 174650859

IUPAChydron;2H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2=CN=CC2=NC1.[H+]
InChIInChI=1S/C7H6N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,4-5H,3H2/p+1
InChIKeyOHLTVFTZYUIELE-UHFFFAOYSA-O
MW119.15 g/mol
LogP1.08
Rot. Bonds

About hydron;2H-pyrrolo[3,4-b]pyridine

hydron;2H-pyrrolo[3,4-b]pyridine (PubChem CID 174650859) has the molecular formula C7H7N2+ and a molecular weight of 119.15 g/mol. Its IUPAC name is hydron;2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Namehydron;2H-pyrrolo[3,4-b]pyridine
PubChem CID174650859
Molecular FormulaC7H7N2+
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Namehydron;2H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2=CN=CC2=NC1.[H+]
InChIInChI=1S/C7H6N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,4-5H,3H2/p+1
InChIKeyOHLTVFTZYUIELE-UHFFFAOYSA-O
XLogP1.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of hydron;2H-pyrrolo[3,4-b]pyridine (CID 174650859) is hydron;2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for hydron;2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for hydron;2H-pyrrolo[3,4-b]pyridine is C1=CC2=CN=CC2=NC1.[H+].
What is the InChIKey of hydron;2H-pyrrolo[3,4-b]pyridine?
The InChIKey is OHLTVFTZYUIELE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,4-5H,3H2/p+1.
What are the key properties of hydron;2H-pyrrolo[3,4-b]pyridine?
hydron;2H-pyrrolo[3,4-b]pyridine has a molecular weight of 119.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 174650859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).