6H-pyrido[1,2-a]indol-5-ium

C12H10N+ — CID 23118532

IUPAC6H-pyrido[1,2-a]indol-5-ium
SMILESC1=CC[N+]2=c3ccccc3=CC2=C1
InChIInChI=1S/C12H10N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-7,9H,8H2/q+1
InChIKeyKDXCCPFRJOPLNS-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.43
Rot. Bonds

About 6H-pyrido[1,2-a]indol-5-ium

6H-pyrido[1,2-a]indol-5-ium (PubChem CID 23118532) has the molecular formula C12H10N+ and a molecular weight of 168.22 g/mol. Its IUPAC name is 6H-pyrido[1,2-a]indol-5-ium.

Molecular Properties

Compound Name6H-pyrido[1,2-a]indol-5-ium
PubChem CID23118532
Molecular FormulaC12H10N+
Molecular Weight168.22 g/mol
Exact Mass168.08
IUPAC Name6H-pyrido[1,2-a]indol-5-ium
SMILESC1=CC[N+]2=c3ccccc3=CC2=C1
InChIInChI=1S/C12H10N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-7,9H,8H2/q+1
InChIKeyKDXCCPFRJOPLNS-UHFFFAOYSA-N
XLogP0.43
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[1,2-a]indol-5-ium?
The IUPAC name of 6H-pyrido[1,2-a]indol-5-ium (CID 23118532) is 6H-pyrido[1,2-a]indol-5-ium.
What is the SMILES notation for 6H-pyrido[1,2-a]indol-5-ium?
The canonical SMILES for 6H-pyrido[1,2-a]indol-5-ium is C1=CC[N+]2=c3ccccc3=CC2=C1.
What is the InChIKey of 6H-pyrido[1,2-a]indol-5-ium?
The InChIKey is KDXCCPFRJOPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-7,9H,8H2/q+1.
What are the key properties of 6H-pyrido[1,2-a]indol-5-ium?
6H-pyrido[1,2-a]indol-5-ium has a molecular weight of 168.22 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[1,2-a]indol-5-ium is sourced from PubChem (CID 23118532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).