2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid - CAS 505084-59-3
Catalog: |
BB027090 |
Product Name: |
2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
505084-59-3 |
Synonyms: |
2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid (CAS# 505084-59-3) is a useful research chemical. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=C(C(=NC=C1C(F)(F)F)Cl)C(=O)O |
InChI: | InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14) |
InChI Key: | RMSKYTKOFDQVEL-UHFFFAOYSA-N |
Boiling Point: | 301.5 ℃ at 760 mmHg |
Density: | 1.603 g/cm3 |
MDL: | MFCD08741353 |
LogP: | 2.45200 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021178488-A1 | Eif4e inhibitors and uses thereof | 20200303 |
WO-2021115225-A1 | Pyrazole-containing polycyclic derivative inhibitor, preparation method therefor and application thereof | 20191210 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
JP-2019167373-A | Method for controlling harmful arthropods using heterocyclic compounds | 20190607 |
US-2020290969-A1 | Fused piperidinyl bicyclic and related compounds as modulators of c5a receptor | 20190311 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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