2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid

C10H9ClN2O2 — CID 86595130

IUPAC2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2c(Cl)nccc21
InChIInChI=1S/C10H9ClN2O2/c1-6(10(14)15)13-5-3-7-8(13)2-4-12-9(7)11/h2-6H,1H3,(H,14,15)
InChIKeyOJQAQEMVFYZMHR-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.34
Rot. Bonds2

About 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid

2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid (PubChem CID 86595130) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid
PubChem CID86595130
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2c(Cl)nccc21
InChIInChI=1S/C10H9ClN2O2/c1-6(10(14)15)13-5-3-7-8(13)2-4-12-9(7)11/h2-6H,1H3,(H,14,15)
InChIKeyOJQAQEMVFYZMHR-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid?
The IUPAC name of 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid (CID 86595130) is 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid is CC(C(=O)O)n1ccc2c(Cl)nccc21.
What is the InChIKey of 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid?
The InChIKey is OJQAQEMVFYZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6(10(14)15)13-5-3-7-8(13)2-4-12-9(7)11/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid?
2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid has a molecular weight of 224.65 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrrolo[3,2-c]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 86595130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).