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

C8H5ClN2O2 — CID 24729566

IUPAC4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C8H5ClN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyCFASASVVIOZGNK-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.91
Rot. Bonds1

About 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 24729566) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID24729566
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C8H5ClN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyCFASASVVIOZGNK-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 24729566) is 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CFASASVVIOZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
4-chloro-1H-pyrrolo[2,3-b]pyridine-3-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 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 24729566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).