2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid

C16H16N2O2 — CID 155918492

IUPAC2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid
SMILESCN1CCc2cc(-c3ccccc3CC(=O)O)cnc21
InChIInChI=1S/C16H16N2O2/c1-18-7-6-12-8-13(10-17-16(12)18)14-5-3-2-4-11(14)9-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)
InChIKeyOGUPYQZMAQFGKY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid

2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid (PubChem CID 155918492) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid
PubChem CID155918492
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid
SMILESCN1CCc2cc(-c3ccccc3CC(=O)O)cnc21
InChIInChI=1S/C16H16N2O2/c1-18-7-6-12-8-13(10-17-16(12)18)14-5-3-2-4-11(14)9-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)
InChIKeyOGUPYQZMAQFGKY-UHFFFAOYSA-N
XLogP2.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid (CID 155918492) is 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid is CN1CCc2cc(-c3ccccc3CC(=O)O)cnc21.
What is the InChIKey of 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid?
The InChIKey is OGUPYQZMAQFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-7-6-12-8-13(10-17-16(12)18)14-5-3-2-4-11(14)9-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid?
2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid has a molecular weight of 268.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid is sourced from PubChem (CID 155918492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).