6-Methylindole-2-carboxylic Acid - CAS 18474-59-4
Catalog: |
BB014160 |
Product Name: |
6-Methylindole-2-carboxylic Acid |
CAS: |
18474-59-4 |
Synonyms: |
6-methyl-1H-indole-2-carboxylic acid; 6-methyl-1H-indole-2-carboxylic acid |
IUPAC Name: | 6-methyl-1H-indole-2-carboxylic acid |
Description: | 6-Methylindole-2-carboxylic Acid (CAS# 18474-59-4) is used in preparation of heterocyclic compounds, notably indole derivatives useful in the treatment of disorders that lead to accumulation of oxalate. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C=C(N2)C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13) |
InChI Key: | ZKGSVVHFMZASJS-UHFFFAOYSA-N |
Boiling Point: | 411.5 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
LogP: | 2.17450 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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-2021050555-A1 | Compositions and uses thereof | 20190910 |
AU-2018361364-A1 | Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) | 20171102 |
CA-3081386-A1 | Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv) | 20171102 |
TW-201930315-A | Novel highly active amino-thiazole-substituted guanidino-2-carboxamide with anti-hepatitis B virus (HBV) activity | 20171102 |
WO-2019086141-A1 | Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv) | 20171102 |
PMID | Publication Date | Title | Journal |
19969456 | 20100115 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Bioorganic & medicinal chemistry letters |
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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