1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium

C15H15N2+ — CID 158638578

IUPAC1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium
SMILESCc1cc2cc[n+](-c3ccccc3)cc2n1C
InChIInChI=1S/C15H15N2/c1-12-10-13-8-9-17(11-15(13)16(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3/q+1
InChIKeyGCYBTXCNDJAWHX-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.76
Rot. Bonds1

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

1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium (PubChem CID 158638578) has the molecular formula C15H15N2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium
PubChem CID158638578
Molecular FormulaC15H15N2+
Molecular Weight223.30 g/mol
Exact Mass223.12
IUPAC Name1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium
SMILESCc1cc2cc[n+](-c3ccccc3)cc2n1C
InChIInChI=1S/C15H15N2/c1-12-10-13-8-9-17(11-15(13)16(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3/q+1
InChIKeyGCYBTXCNDJAWHX-UHFFFAOYSA-N
XLogP2.76
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.76
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 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium?
The IUPAC name of 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium (CID 158638578) is 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium.
What is the SMILES notation for 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium?
The canonical SMILES for 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium is Cc1cc2cc[n+](-c3ccccc3)cc2n1C.
What is the InChIKey of 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium?
The InChIKey is GCYBTXCNDJAWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2/c1-12-10-13-8-9-17(11-15(13)16(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3/q+1.
What are the key properties of 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium?
1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium has a molecular weight of 223.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-phenylpyrrolo[2,3-c]pyridin-6-ium is sourced from PubChem (CID 158638578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).