5-Methylindole-2-carboxylic acid - CAS 10241-97-1
Catalog: |
BB000851 |
Product Name: |
5-Methylindole-2-carboxylic acid |
CAS: |
10241-97-1 |
Synonyms: |
5-methyl-1H-indole-2-carboxylic acid |
IUPAC Name: | 5-methyl-1H-indole-2-carboxylic acid |
Description: | 5-Methylindole-2-carboxylic acid (CAS# 10241-97-1) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=C2)C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | DAITVOCMWPNFTL-UHFFFAOYSA-N |
Boiling Point: | 421.2 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | Crystals |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00047166 |
LogP: | 2.17450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111196801-A | Aporphine alkaloid derivative and preparation method and application thereof | 20200114 |
WO-2021110076-A1 | Oxamide derivatives, preparation method therefor and use thereof in medicine | 20191204 |
WO-2021057818-A1 | Fxia inhibitors and preparation method therefor and pharmaceutical use thereof | 20190927 |
TW-202106678-A | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
TW-202106686-A | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
PMID | Publication Date | Title | Journal |
19969456 | 20100115 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Bioorganic & medicinal chemistry letters |
19640715 | 20090901 | A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta | Bioorganic & medicinal chemistry letters |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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