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

C9H8N2O2 — CID 45117028

IUPAC2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cccnc12
InChIInChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13)
InChIKeyJRQIMQAZVVLLKI-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.19
Rot. Bonds2

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

2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid (PubChem CID 45117028) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
PubChem CID45117028
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cccnc12
InChIInChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13)
InChIKeyJRQIMQAZVVLLKI-UHFFFAOYSA-N
XLogP1.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
Indole-3-pyruvic acid
CID 803
Methyl indole-3-acetate
CID 74706
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
5-Fluoroindole-3-acetic acid
CID 96750
3-(9H-pyrido(3,4-b)indol-1-yl)propanoic acid
CID 5375436
Indole-3-pyruvic acid imine
CID 5599
2-(7-methyl-1H-indol-3-yl)acetic acid
CID 228473
2-(4-methyl-1H-indol-3-yl)acetic acid
CID 22490432
2-(1H-indol-3-yl)propanoic acid
CID 10899423

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid (CID 45117028) is 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid is O=C(O)Cc1c[nH]c2cccnc12.
What is the InChIKey of 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The InChIKey is JRQIMQAZVVLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13).
What are the key properties of 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid?
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid has a molecular weight of 176.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 45117028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).