5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C8H5ClN2O2 — CID 11665585

IUPAC5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C8H5ClN2O2/c9-7-2-1-4-5(11-7)3-6(10-4)8(12)13/h1-3,10H,(H,12,13)
InChIKeyLTAXMSVURJPVQV-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.91
Rot. Bonds1

About 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 11665585) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID11665585
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C8H5ClN2O2/c9-7-2-1-4-5(11-7)3-6(10-4)8(12)13/h1-3,10H,(H,12,13)
InChIKeyLTAXMSVURJPVQV-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 11665585) is 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is LTAXMSVURJPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-7-2-1-4-5(11-7)3-6(10-4)8(12)13/h1-3,10H,(H,12,13).
What are the key properties of 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 11665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).