5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid

C11H10N2O2 — CID 169005444

IUPAC5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=Cc1cnc2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C11H10N2O2/c1-3-7-4-8-5-9(11(14)15)13(2)10(8)12-6-7/h3-6H,1H2,2H3,(H,14,15)
InChIKeyVYEIEIMJMCETKE-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.91
Rot. Bonds2

About 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid

5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 169005444) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID169005444
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=Cc1cnc2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C11H10N2O2/c1-3-7-4-8-5-9(11(14)15)13(2)10(8)12-6-7/h3-6H,1H2,2H3,(H,14,15)
InChIKeyVYEIEIMJMCETKE-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 169005444) is 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid is C=Cc1cnc2c(c1)cc(C(=O)O)n2C.
What is the InChIKey of 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is VYEIEIMJMCETKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-3-7-4-8-5-9(11(14)15)13(2)10(8)12-6-7/h3-6H,1H2,2H3,(H,14,15).
What are the key properties of 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 169005444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).