5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid - CAS 1198095-99-6
Catalog: |
BB004637 |
Product Name: |
5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid |
CAS: |
1198095-99-6 |
Synonyms: |
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid |
IUPAC Name: | 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid |
Description: | 5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CAS# 1198095-99-6) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CC1=CN=C2C(=C1)C(=CN2)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | MHTZMYMOQLUMHK-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD13563087 |
LogP: | 1.56950 |
Publication Number | Title | Priority Date |
US-2020172534-A1 | Compounds and compositions for treating conditions associated with sting activity | 20180703 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Related Functional Groups
Pyridines
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