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

C9H10N2O3 — CID 67427153

IUPAC2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid
SMILESO=C(O)CC1(O)CNc2ncccc21
InChIInChI=1S/C9H10N2O3/c12-7(13)4-9(14)5-11-8-6(9)2-1-3-10-8/h1-3,14H,4-5H2,(H,10,11)(H,12,13)
InChIKeyVRTIGLYWSVBZSN-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.17
Rot. Bonds2

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

2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid (PubChem CID 67427153) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid
PubChem CID67427153
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid
SMILESO=C(O)CC1(O)CNc2ncccc21
InChIInChI=1S/C9H10N2O3/c12-7(13)4-9(14)5-11-8-6(9)2-1-3-10-8/h1-3,14H,4-5H2,(H,10,11)(H,12,13)
InChIKeyVRTIGLYWSVBZSN-UHFFFAOYSA-N
XLogP0.17
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid (CID 67427153) is 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid is O=C(O)CC1(O)CNc2ncccc21.
What is the InChIKey of 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid?
The InChIKey is VRTIGLYWSVBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-7(13)4-9(14)5-11-8-6(9)2-1-3-10-8/h1-3,14H,4-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid?
2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 67427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).