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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Related Compounds

3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid
CID 119092473
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 175212768
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
CID 152530269
3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol
CID 137424357
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide
CID 170555134
5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 83906286
2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid
CID 83848433
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 90379626
5-(aminomethyl)-6,7-dihydrocyclopenta[b]pyridin-5-ol
CID 83905435
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224

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).