pyrido[3,4-b]indolizin-2-ium

C11H9N2+ — CID 173075043

IUPACpyrido[3,4-b]indolizin-2-ium
SMILESc1ccn2c(c1)cc1c[nH+]ccc12
InChIInChI=1S/C11H8N2/c1-2-6-13-10(3-1)7-9-8-12-5-4-11(9)13/h1-8H/p+1
InChIKeyRJGITZCJPMUWSM-UHFFFAOYSA-O
MW169.21 g/mol
LogP1.91
Rot. Bonds

About pyrido[3,4-b]indolizin-2-ium

pyrido[3,4-b]indolizin-2-ium (PubChem CID 173075043) has the molecular formula C11H9N2+ and a molecular weight of 169.21 g/mol. Its IUPAC name is pyrido[3,4-b]indolizin-2-ium.

Molecular Properties

Compound Namepyrido[3,4-b]indolizin-2-ium
PubChem CID173075043
Molecular FormulaC11H9N2+
Molecular Weight169.21 g/mol
Exact Mass169.08
IUPAC Namepyrido[3,4-b]indolizin-2-ium
SMILESc1ccn2c(c1)cc1c[nH+]ccc12
InChIInChI=1S/C11H8N2/c1-2-6-13-10(3-1)7-9-8-12-5-4-11(9)13/h1-8H/p+1
InChIKeyRJGITZCJPMUWSM-UHFFFAOYSA-O
XLogP1.91
TPSA18.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-b]indolizin-2-ium?
The IUPAC name of pyrido[3,4-b]indolizin-2-ium (CID 173075043) is pyrido[3,4-b]indolizin-2-ium.
What is the SMILES notation for pyrido[3,4-b]indolizin-2-ium?
The canonical SMILES for pyrido[3,4-b]indolizin-2-ium is c1ccn2c(c1)cc1c[nH+]ccc12.
What is the InChIKey of pyrido[3,4-b]indolizin-2-ium?
The InChIKey is RJGITZCJPMUWSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8N2/c1-2-6-13-10(3-1)7-9-8-12-5-4-11(9)13/h1-8H/p+1.
What are the key properties of pyrido[3,4-b]indolizin-2-ium?
pyrido[3,4-b]indolizin-2-ium has a molecular weight of 169.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-b]indolizin-2-ium is sourced from PubChem (CID 173075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).