6-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid - CAS 800402-07-7
Catalog: |
BB036458 |
Product Name: |
6-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid |
CAS: |
800402-07-7 |
Synonyms: |
6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid; 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
IUPAC Name: | 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
Description: | 6-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid (CAS# 800402-07-7) is a useful research chemical. |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5ClN2O2 |
Canonical SMILES: | C1=CC(=NC2=C1C=C(N2)C(=O)O)Cl |
InChI: | InChI=1S/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | MFMDNNLHOKXYLL-UHFFFAOYSA-N |
Boiling Point: | 467.036 °C at 760 mmHg |
Density: | 1.644 g/cm3 |
MDL: | MFCD09878690 |
LogP: | 1.91450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021158840-A1 | Macrocyclic pad4 inhibitors useful as immunosuppressant | 20200206 |
WO-2020072580-A1 | Matriptase 2 inhibitors and uses thereof | 20181002 |
CN-112996529-A | Matriptase 2 inhibitor and application thereof | 20181002 |
EP-3860636-A1 | Matriptase 2 inhibitors and uses thereof | 20181002 |
CN-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | 20151202 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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