4-Methyl-1H-indole-2-carboxylic acid - CAS 18474-57-2
Catalog: |
BB014159 |
Product Name: |
4-Methyl-1H-indole-2-carboxylic acid |
CAS: |
18474-57-2 |
Synonyms: |
4-methyl-1H-indole-2-carboxylic acid; 4-methyl-1H-indole-2-carboxylic acid |
IUPAC Name: | 4-methyl-1H-indole-2-carboxylic acid |
Description: | 4-Methyl-1H-indole-2-carboxylic acid (CAS# 18474-57-2) is used in preparation of novel indole-2-carboxamides active against hepatitis B virus (HBV). |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=C2C=C(NC2=CC=C1)C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | QMSCXKCJGFIXDF-UHFFFAOYSA-N |
Boiling Point: | 419.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.34 g/cm3 |
MDL: | MFCD02664476 |
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 |
WO-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221826-A1 | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106678-A | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
TW-202106687-A | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
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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