3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium

C9H9N2+ — CID 90857939

IUPAC3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
SMILESC=C1N=c2[nH+]cccc2=C1C
InChIInChI=1S/C9H8N2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h3-5H,2H2,1H3/p+1
InChIKeyPDXKMXFSHXLJOA-UHFFFAOYSA-O
MW145.18 g/mol
LogP-0.18
Rot. Bonds

About 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium

3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium (PubChem CID 90857939) has the molecular formula C9H9N2+ and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium.

Molecular Properties

Compound Name3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
PubChem CID90857939
Molecular FormulaC9H9N2+
Molecular Weight145.18 g/mol
Exact Mass145.08
IUPAC Name3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
SMILESC=C1N=c2[nH+]cccc2=C1C
InChIInChI=1S/C9H8N2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h3-5H,2H2,1H3/p+1
InChIKeyPDXKMXFSHXLJOA-UHFFFAOYSA-O
XLogP-0.18
TPSA26.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium?
The IUPAC name of 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium (CID 90857939) is 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium.
What is the SMILES notation for 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium?
The canonical SMILES for 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium is C=C1N=c2[nH+]cccc2=C1C.
What is the InChIKey of 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium?
The InChIKey is PDXKMXFSHXLJOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h3-5H,2H2,1H3/p+1.
What are the key properties of 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium?
3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium has a molecular weight of 145.18 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium is sourced from PubChem (CID 90857939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).