1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium

C9H11N2+ — CID 125480296

IUPAC1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium
SMILESCn1ccc2cc[n+](C)cc21
InChIInChI=1S/C9H11N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h3-7H,1-2H3/q+1
InChIKeyJJAOJTIWRRIFSJ-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.00
Rot. Bonds

About 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium

1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium (PubChem CID 125480296) has the molecular formula C9H11N2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium
PubChem CID125480296
Molecular FormulaC9H11N2+
Molecular Weight147.20 g/mol
Exact Mass147.09
IUPAC Name1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium
SMILESCn1ccc2cc[n+](C)cc21
InChIInChI=1S/C9H11N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h3-7H,1-2H3/q+1
InChIKeyJJAOJTIWRRIFSJ-UHFFFAOYSA-N
XLogP1.00
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium?
The IUPAC name of 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium (CID 125480296) is 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium.
What is the SMILES notation for 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium?
The canonical SMILES for 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium is Cn1ccc2cc[n+](C)cc21.
What is the InChIKey of 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium?
The InChIKey is JJAOJTIWRRIFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h3-7H,1-2H3/q+1.
What are the key properties of 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium?
1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium has a molecular weight of 147.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrrolo[2,3-c]pyridin-6-ium is sourced from PubChem (CID 125480296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).