5-Methylimidazo[1,2-a]pyridine-2-carboxylic Acid - CAS 88751-06-8
Catalog: |
BB039175 |
Product Name: |
5-Methylimidazo[1,2-a]pyridine-2-carboxylic Acid |
CAS: |
88751-06-8 |
Synonyms: |
5-methyl-2-imidazo[1,2-a]pyridinecarboxylic acid; 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid |
IUPAC Name: | 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid |
Description: | 5-Methylimidazo[1,2-a]pyridine-2-carboxylic Acid (CAS# 88751-06-8) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CC1=CC=CC2=NC(=CN12)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-6-3-2-4-8-10-7(9(12)13)5-11(6)8/h2-5H,1H3,(H,12,13) |
InChI Key: | ITABKLPNHAGZEG-UHFFFAOYSA-N |
Density: | 1.35 g/cm3 |
MDL: | MFCD03419472 |
LogP: | 1.34090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019292150-A1 | Ido-tdo dual inhibitor and related methods of use | 20180323 |
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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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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