5-Chloroindole-2-carboxylic acid - CAS 10517-21-2
Catalog: |
BB001567 |
Product Name: |
5-Chloroindole-2-carboxylic acid |
CAS: |
10517-21-2 |
Synonyms: |
5-chloro-1H-indole-2-carboxylic acid |
IUPAC Name: | 5-chloro-1H-indole-2-carboxylic acid |
Description: | 5-Chloroindole-2-carboxylic acid (CAS# 10517-21-2) is used in the synthesis of 4-(3-aminomethylphenyl)piperidine-1-carboxamides as potent, selective, and orally bioavailable inhibitors of βII tryptase. It is also a reagent used to prepare indole amides with possible antihistaminic activities. |
Molecular Weight: | 195.60 |
Molecular Formula: | C9H6ClNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O |
InChI: | InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
InChI Key: | FUQOTYRCMBZFOL-UHFFFAOYSA-N |
Boiling Point: | 449.7 °C at 760 mmHg |
Melting Point: | 283-287 °C |
Purity: | 95 % |
Density: | 1.548 g/cm3 |
Appearance: | Light pink to beige or light brown fine |
Storage: | 0-6 °C |
MDL: | MFCD00005613 |
LogP: | 2.51950 |
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 |
WO-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
US-2020241414-A1 | Resist composition and patterning process | 20190129 |
US-2020192222-A1 | Resist composition and patterning process | 20181218 |
WO-2020118179-A1 | Peptidomimetic inhibitors of β-catenin/tcf proteinâ€"protein interaction | 20181207 |
WO-2020051707-A1 | Indole-oxadiazole compounds and their therapeutic use | 20180912 |
PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
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: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Indoles
Customers Also Viewed
-
[1118-71-4]
2,2,6,6-Tetramethyl-3,5-heptanedione
-
[16208-48-3]
Ethanesulfonic acid, 2,2'-trithiodi-, disodium salt
-
[1147737-68-5]
1,4-di-tert-butyl-2,5-bis(2,2,2-trifluoro-ethoxy)benzene
-
[332360-02-8]
Mitoguazone dihydrochloride monohydrate
-
[10340-23-5]
cis-3-Nonen-1-ol
-
[5518-18-3]
N-[2-(hexadecanoylamino)ethyl]hexadecanamide
INDUSTRY LEADERS TRUST OUR PRODUCTS