6-Chloro-5-azaindole-2-carboxylic Acid - CAS 800401-54-1
Catalog: |
BB036449 |
Product Name: |
6-Chloro-5-azaindole-2-carboxylic Acid |
CAS: |
800401-54-1 |
Synonyms: |
6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid; 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid |
IUPAC Name: | 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid |
Description: | 6-Chloro-5-azaindole-2-carboxylic Acid (CAS# 800401-54-1) is a useful research chemical. |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5ClN2O2 |
Canonical SMILES: | C1=C2C(=CN=C1Cl)C=C(N2)C(=O)O |
InChI: | InChI=1S/C8H5ClN2O2/c9-7-2-5-4(3-10-7)1-6(11-5)8(12)13/h1-3,11H,(H,12,13) |
InChI Key: | IZFVERBPAPUYEK-UHFFFAOYSA-N |
Boiling Point: | 467.036 ℃ at 760 mmHg |
Density: | 1.644 g/cm3 |
MDL: | MFCD09878691 |
LogP: | 1.91450 |
Publication Number | Title | Priority Date |
AU-2014275643-A1 | Heterocyclic derivatives and use thereof | 20130605 |
CA-2914620-A1 | Heterocyclic derivatives and use thereof | 20130605 |
EP-3004057-A1 | Heterocyclic derivatives and use thereof | 20130605 |
EP-3004057-B1 | Heterocyclic derivatives and their use as stat 3 inhibitors | 20130605 |
KR-20160017039-A | Heterocyclic derivatives and use thereof | 20130605 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0039551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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