dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate

C8H4Li2N2O2 — CID 23667511

IUPACdilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate
SMILESO=C([O-])n1[c-]cc2cccnc21.[Li+].[Li+]
InChIInChI=1S/C8H5N2O2.2Li/c11-8(12)10-5-3-6-2-1-4-9-7(6)10;;/h1-4H,(H,11,12);;/q-1;2*+1/p-1
InChIKeyIYFCHIMFVJZBIG-UHFFFAOYSA-M
MW174.01 g/mol
LogP-5.96
Rot. Bonds

About dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate

dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate (PubChem CID 23667511) has the molecular formula C8H4Li2N2O2 and a molecular weight of 174.01 g/mol. Its IUPAC name is dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate.

Molecular Properties

Compound Namedilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate
PubChem CID23667511
Molecular FormulaC8H4Li2N2O2
Molecular Weight174.01 g/mol
Exact Mass174.06
IUPAC Namedilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate
SMILESO=C([O-])n1[c-]cc2cccnc21.[Li+].[Li+]
InChIInChI=1S/C8H5N2O2.2Li/c11-8(12)10-5-3-6-2-1-4-9-7(6)10;;/h1-4H,(H,11,12);;/q-1;2*+1/p-1
InChIKeyIYFCHIMFVJZBIG-UHFFFAOYSA-M
XLogP-5.96
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.01
LogP ≤ 5-5.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate?
The IUPAC name of dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate (CID 23667511) is dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate.
What is the SMILES notation for dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate?
The canonical SMILES for dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate is O=C([O-])n1[c-]cc2cccnc21.[Li+].[Li+].
What is the InChIKey of dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate?
The InChIKey is IYFCHIMFVJZBIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5N2O2.2Li/c11-8(12)10-5-3-6-2-1-4-9-7(6)10;;/h1-4H,(H,11,12);;/q-1;2*+1/p-1.
What are the key properties of dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate?
dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate has a molecular weight of 174.01 g/mol, XLogP of -5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2H-pyrrolo[2,3-b]pyridin-2-ide-1-carboxylate is sourced from PubChem (CID 23667511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).