4-Chloro-6-methylnicotinic Acid - CAS 1060805-95-9
Catalog: |
BB001785 |
Product Name: |
4-Chloro-6-methylnicotinic Acid |
CAS: |
1060805-95-9 |
Synonyms: |
4-chloro-6-methyl-3-pyridinecarboxylic acid; 4-chloro-6-methylpyridine-3-carboxylic acid |
IUPAC Name: | 4-chloro-6-methylpyridine-3-carboxylic acid |
Description: | 4-Chloro-6-methylnicotinic Acid (CAS# 1060805-95-9) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=NC=C(C(=C1)Cl)C(=O)O |
InChI: | InChI=1S/C7H6ClNO2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3H,1H3,(H,10,11) |
InChI Key: | NPFSHIQNHIGKKL-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.74160 |
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 |
KR-20190088404-A | 3- (2,3-dihydro-1H-inden-5-yl) propanoic acid derivatives and their use as NRF2 regulators | 20161206 |
US-10604509-B2 | Nrf2 regulators | 20150615 |
US-2018179187-A1 | Nrf2 REGULATORS | 20150615 |
WO-2016202253-A1 | Nrf2 regulators | 20150615 |
EP-3307739-B1 | Nrf2 regulators | 20150615 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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