lithium 1-pyridin-3-ylpyrrole-3-carboxylate

C10H7LiN2O2 — CID 67280595

IUPAClithium 1-pyridin-3-ylpyrrole-3-carboxylate
SMILESO=C([O-])c1ccn(-c2cccnc2)c1.[Li+]
InChIInChI=1S/C10H8N2O2.Li/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9;/h1-7H,(H,13,14);/q;+1/p-1
InChIKeyQEYHDPYAEHJCRG-UHFFFAOYSA-M
MW194.12 g/mol
LogP-2.76
Rot. Bonds2

About lithium 1-pyridin-3-ylpyrrole-3-carboxylate

lithium 1-pyridin-3-ylpyrrole-3-carboxylate (PubChem CID 67280595) has the molecular formula C10H7LiN2O2 and a molecular weight of 194.12 g/mol. Its IUPAC name is lithium 1-pyridin-3-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Namelithium 1-pyridin-3-ylpyrrole-3-carboxylate
PubChem CID67280595
Molecular FormulaC10H7LiN2O2
Molecular Weight194.12 g/mol
Exact Mass194.07
IUPAC Namelithium 1-pyridin-3-ylpyrrole-3-carboxylate
SMILESO=C([O-])c1ccn(-c2cccnc2)c1.[Li+]
InChIInChI=1S/C10H8N2O2.Li/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9;/h1-7H,(H,13,14);/q;+1/p-1
InChIKeyQEYHDPYAEHJCRG-UHFFFAOYSA-M
XLogP-2.76
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 1-pyridin-3-ylpyrrole-3-carboxylate?
The IUPAC name of lithium 1-pyridin-3-ylpyrrole-3-carboxylate (CID 67280595) is lithium 1-pyridin-3-ylpyrrole-3-carboxylate.
What is the SMILES notation for lithium 1-pyridin-3-ylpyrrole-3-carboxylate?
The canonical SMILES for lithium 1-pyridin-3-ylpyrrole-3-carboxylate is O=C([O-])c1ccn(-c2cccnc2)c1.[Li+].
What is the InChIKey of lithium 1-pyridin-3-ylpyrrole-3-carboxylate?
The InChIKey is QEYHDPYAEHJCRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O2.Li/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9;/h1-7H,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 1-pyridin-3-ylpyrrole-3-carboxylate?
lithium 1-pyridin-3-ylpyrrole-3-carboxylate has a molecular weight of 194.12 g/mol, XLogP of -2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-pyridin-3-ylpyrrole-3-carboxylate is sourced from PubChem (CID 67280595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).