2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid

C12H12N2O2 — CID 84681720

IUPAC2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C2CC2)c2ncccc12
InChIInChI=1S/C12H12N2O2/c15-11(16)6-8-7-14(9-3-4-9)12-10(8)2-1-5-13-12/h1-2,5,7,9H,3-4,6H2,(H,15,16)
InChIKeyJEJRAHGIUZEQOK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid

2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid (PubChem CID 84681720) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
PubChem CID84681720
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C2CC2)c2ncccc12
InChIInChI=1S/C12H12N2O2/c15-11(16)6-8-7-14(9-3-4-9)12-10(8)2-1-5-13-12/h1-2,5,7,9H,3-4,6H2,(H,15,16)
InChIKeyJEJRAHGIUZEQOK-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid (CID 84681720) is 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid is O=C(O)Cc1cn(C2CC2)c2ncccc12.
What is the InChIKey of 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The InChIKey is JEJRAHGIUZEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(16)6-8-7-14(9-3-4-9)12-10(8)2-1-5-13-12/h1-2,5,7,9H,3-4,6H2,(H,15,16).
What are the key properties of 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid?
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 84681720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).